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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O4S/c1-21-11-4-6-13(22-2)12(8-11)20-16(18-19-17(20)25)10-3-5-14-15(7-10)24-9-23-14/h3-8H,9H2,1-2H3,(H,19,25)