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

Systemtic Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-benzyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-benzyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-[(E)-piperonylideneamino]-1H-1,2,4-triazole-5-thione Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=NNC3=S)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=NNC3=S)CC4=CC=CC=C4

InChI

InChI=1S/C17H14N4O2S/c24-17-20-19-16(9-12-4-2-1-3-5-12)21(17)18-10-13-6-7-14-15(8-13)23-11-22-14/h1-8,10H,9,11H2,(H,20,24)/b18-10+