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

Systemtic Name: 5-azanyl-N-methyl-3-methylsulfanyl-N-[(E)-(phenylmethylidene)amino]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-benzylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-(methylthio)-N-[(E)-(phenylmethylene)amino]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-benzylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-benzalamino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide Formula: C12H14N6S2 MolecularWeight: 306.40976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6S2/c1-17(14-8-9-6-4-3-5-7-9)12(19)18-10(13)15-11(16-18)20-2/h3-8H,1-2H3,(H2,13,15,16)/b14-8+