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

Systemtic Name: 5-azanyl-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-(methylthio)-N-[(E)-piperonylideneamino]-1,2,4-triazole-1-carbothioamide Formula: C13H14N6O2S2 MolecularWeight: 350.41926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)SC)N)N=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)SC)N)/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N6O2S2/c1-18(13(22)19-11(14)16-12(17-19)23-2)15-6-8-3-4-9-10(5-8)21-7-20-9/h3-6H,7H2,1-2H3,(H2,14,16,17)/b15-6+