4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(4-methylsulfanylphenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(4-methylsulfanylphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-[(4-methylsulfanylphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[[4-(methylthio)phenyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[(4-methylsulfanylphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(methylthio)benzyl]-4-[(E)-piperonylideneamino]-1H-1,2,4-triazole-5-thione Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=NNC(=S)N2N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=NNC(=S)N2/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O2S2/c1-26-14-5-2-12(3-6-14)9-17-20-21-18(25)22(17)19-10-13-4-7-15-16(8-13)24-11-23-15/h2-8,10H,9,11H2,1H3,(H,21,25)/b19-10+