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

Systemtic Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-benzyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-benzyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(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=NC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/C3=NNC(=S)N3CC4=CC=CC=C4

InChI

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