5-azanyl-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-(4-cyanophenyl)methyleneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-(4-cyanobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide Formula: C13H13N7S2 MolecularWeight: 331.41922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)SC)N)N=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)SC)N)/N=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13N7S2/c1-19(13(21)20-11(15)17-12(18-20)22-2)16-8-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H2,15,17,18)/b16-8+