4-(1,3-benzodioxol-5-ylmethylideneamino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyleneamino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chlorophenyl)-4-(piperonylideneamino)-1H-1,2,4-triazole-5-thione Formula: C16H11ClN4O2S MolecularWeight: 358.80214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=NNC3=S)C4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NN3C(=NNC3=S)C4=CC=CC=C4Cl

InChI

InChI=1S/C16H11ClN4O2S/c17-12-4-2-1-3-11(12)15-19-20-16(24)21(15)18-8-10-5-6-13-14(7-10)23-9-22-13/h1-8H,9H2,(H,20,24)