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Guanidine, N-[3,5-bis(methylthio)-4H-1,2,4-triazol-4-yl]-N',N''-bis(4-methylphenyl)-
SpectraBase Compound ID GDUWQdU3v0U
InChI InChI=1S/C19H22N6S2/c1-13-5-9-15(10-6-13)20-17(21-16-11-7-14(2)8-12-16)24-25-18(26-3)22-23-19(25)27-4/h5-12H,1-4H3,(H2,20,21,24)
InChIKey PJNSZRMXYVAYAG-UHFFFAOYSA-N
Mol Weight 398.55 g/mol
Molecular Formula C19H22N6S2
Exact Mass 398.134737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ysve8w6c2C
Name Guanidine, N-[3,5-bis(methylthio)-4H-1,2,4-triazol-4-yl]-N',N''-bis(4-methylphenyl)-
CAS Registry Number 115445-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N6S2
InChI InChI=1S/C19H22N6S2/c1-13-5-9-15(10-6-13)20-17(21-16-11-7-14(2)8-12-16)24-25-18(26-3)22-23-19(25)27-4/h5-12H,1-4H3,(H2,20,21,24)
InChIKey PJNSZRMXYVAYAG-UHFFFAOYSA-N
Molecular Weight 398.547 g/mol
SMILES N(\C(=N/c1ccc(cc1)C)Nc1ccc(cc1)C)[n]1c(nnc1SC)SC
SPLASH splash10-052b-9521000000-cf37390c7e81f8ec98d6
Source of Spectrum KC-1987-2671-32
Synonyms 4-N,N'-bis(4-tolyl)guanidino-3,5-bis(methylthio)-1,2,4-triazole Guanidine, N-[3,5-bis(methylthio)-4H-1,2,4-triazol-4-yl]-N',N''-bis(4-methylphenyl)- N-[3,5-bis(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N',N''-bis(4-methylphenyl)guanidine
Wiley ID 1368268