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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC

InChI

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