4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-piperonyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O2S/c1-11-2-5-13(6-3-11)16-18-19-17(23)20(16)9-12-4-7-14-15(8-12)22-10-21-14/h2-8H,9-10H2,1H3,(H,19,23)