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1,5-Diphenyl-1H-[1,2,4]triazole-3-S-(phenylamino)thiosemicarbazide
SpectraBase Compound ID Gu1PEw5UZuw
InChI InChI=1S/C22H18N6OS/c29-21(25-26-22(30)23-17-12-6-2-7-13-17)19-24-20(16-10-4-1-5-11-16)28(27-19)18-14-8-3-9-15-18/h1-15H,(H,25,29)(H2,23,26,30)
InChIKey DZFFXPNGGUBWLU-UHFFFAOYSA-N
Mol Weight 414.49 g/mol
Molecular Formula C22H18N6OS
Exact Mass 414.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAg7MwUKoOX
Name 1,5-Diphenyl-1H-[1,2,4]triazole-3-S-(phenylamino)thiosemicarbazide
Alternate Name(s) 2-(1,5-diphenyl-1H-1,2,4-triazole-3-carbonyl)-N-phenylhydrazinecarbothioamide 1-[[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]amino]-3-phenylthiourea 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylthiourea 1-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonylamino]-3-phenyl-thiourea
Comments Less than 3 mono-isotopic peaks
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Formula C22H18N6OS
InChI InChI=1S/C22H18N6OS/c29-21(25-26-22(30)23-17-12-6-2-7-13-17)19-24-20(16-10-4-1-5-11-16)28(27-19)18-14-8-3-9-15-18/h1-15H,(H,25,29)(H2,23,26,30)
InChIKey DZFFXPNGGUBWLU-UHFFFAOYSA-N
Molecular Weight 414.487 g/mol
SMILES N(C(c1nc(-c2ccccc2)[n](n1)-c1ccccc1)=O)NC(Nc1ccccc1)=S
SPLASH splash10-03di-0000900000-975238187d67f76d84fc
Source of Spectrum Y-47-1112-2
Wiley ID 1667360