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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(m-tolyl)-1H-1,2,4-triazole-5-thione Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13N3O2S/c1-10-3-2-4-12(7-10)19-15(17-18-16(19)22)11-5-6-13-14(8-11)21-9-20-13/h2-8H,9H2,1H3,(H,18,22)