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Guanidine, N,N'-bis(4-chlorophenyl)-N''-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID 2GQQVNUO47X
InChI InChI=1S/C17H16Cl2N6OS/c1-24-17(26)25(16(23-24)27-2)22-15(20-13-7-3-11(18)4-8-13)21-14-9-5-12(19)6-10-14/h3-10H,1-2H3,(H2,20,21,22)
InChIKey IPHYCFHQWKOERD-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C17H16Cl2N6OS
Exact Mass 422.048336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SIIvSpT6Db
Name Guanidine, N,N'-bis(4-chlorophenyl)-N''-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]-
Alternate Name(s) Guanidine, N,N'-bis(4-chlorophenyl)-N''-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]- N,N'-bis(4-chlorophenyl)-N''-[1-methyl-3-(methylsulfanyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]guanidine N,N'-bis(4-chlorophenyl)guanidino-2-methyl-5-methylthio-2H-1,2,4-triazol-3(4H)-one
CAS Registry Number 116088-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Cl2N6OS
InChI InChI=1S/C17H16Cl2N6OS/c1-24-17(26)25(16(23-24)27-2)22-15(20-13-7-3-11(18)4-8-13)21-14-9-5-12(19)6-10-14/h3-10H,1-2H3,(H2,20,21,22)
InChIKey IPHYCFHQWKOERD-UHFFFAOYSA-N
Molecular Weight 423.322 g/mol
SMILES N(C(=NN1C(N(C)N=C1SC)=O)Nc1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH splash10-0229-1560900000-21af70caae9bc13daca9
Source of Spectrum KC-1987-2670-4
Wiley ID 1378448