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Guanidine, N-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]-N',N''-diphenyl-
SpectraBase Compound ID HsXIPFF9xlU
InChI InChI=1S/C17H18N6OS/c1-22-17(24)23(16(21-22)25-2)20-15(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20)
InChIKey ZFCZEBAUQCSORM-UHFFFAOYSA-N
Mol Weight 354.43 g/mol
Molecular Formula C17H18N6OS
Exact Mass 354.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpBwbDADuIb
Name Guanidine, N-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]-N',N''-diphenyl-
CAS Registry Number 116088-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N6OS
InChI InChI=1S/C17H18N6OS/c1-22-17(24)23(16(21-22)25-2)20-15(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20)
InChIKey ZFCZEBAUQCSORM-UHFFFAOYSA-N
Molecular Weight 354.432 g/mol
SMILES N(\C(=N/c1ccccc1)Nc1ccccc1)N1C(N(C)N=C1SC)=O
SPLASH splash10-0007-6903000000-82a6701f7a3d447d0cce
Source of Spectrum KC-1987-2670-3
Synonyms 4-(N,N'-diphenyl)-guanidino-2-methyl-5-methylthio-2H-1,2,4-triazol-3(4H)-one Guanidine, N-[1,5-dihydro-1-methyl-3-(methylthio)-5-oxo-4H-1,2,4-triazol-4-yl]-N',N''-diphenyl- N-[1-methyl-3-(methylsulfanyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N',N''-diphenylguanidine
Wiley ID 1344365