2-{[4-(1,5-Dimethyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-(4-fluorophenyl) hydrazinecarbothioamide

SpectraBase Compound ID	ERPyjHbufvE
InChI	InChI=1S/C29H26ClFN8O3S/c1-18-26(27(41)39(36(18)2)23-6-4-3-5-7-23)38-24(16-19-8-10-20(30)11-9-19)35-37(29(38)42)17-25(40)33-34-28(43)32-22-14-12-21(31)13-15-22/h3-15H,16-17H2,1-2H3,(H,33,40)(H2,32,34,43)
InChIKey	NZKKPYCEPDFOPL-UHFFFAOYSA-N Google Search
Mol Weight	621.09 g/mol
Molecular Formula	C29H26ClFN8O3S
Exact Mass	620.152114 g/mol

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SpectraBase Spectrum ID	C5P1MgzQLZd
Name	2-{[4-(1,5-Dimethyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-(4-fluorophenyl) hydrazinecarbothioamide
Alternate Name(s)	1-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea 1-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]-3-(4-fluorophenyl)thiourea 1-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]-3-(4-fluorophenyl)thiourea 1-[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoylamino]-3-(4-fluorophenyl)thiourea
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H26ClFN8O3S
InChI	InChI=1S/C29H26ClFN8O3S/c1-18-26(27(41)39(36(18)2)23-6-4-3-5-7-23)38-24(16-19-8-10-20(30)11-9-19)35-37(29(38)42)17-25(40)33-34-28(43)32-22-14-12-21(31)13-15-22/h3-15H,16-17H2,1-2H3,(H,33,40)(H2,32,34,43)
InChIKey	NZKKPYCEPDFOPL-UHFFFAOYSA-N
Molecular Weight	621.091 g/mol
SMILES	N(NC(Nc1ccc(F)cc1)=S)C(CN1C(N(C=2C(N(c3ccccc3)N(C2C)C)=O)C(=N1)Cc1ccc(Cl)cc1)=O)=O
SPLASH	splash10-0avi-0900002000-6abc9f73483f7b4722d9
Source of Spectrum	F2-45-4730-6c
Wiley ID	1703824