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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-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)C)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-10-3-4-11(2)13(7-10)20-16(18-19-17(20)23)12-5-6-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H,19,23)