4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorobenzyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN3O2S/c18-13-4-1-11(2-5-13)8-16-19-20-17(24)21(16)9-12-3-6-14-15(7-12)23-10-22-14/h1-7H,8-10H2,(H,20,24)