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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O5S/c1-22-14-6-10(7-15(23-2)16(14)24-3)17-19-20-18(27)21(17)11-4-5-12-13(8-11)26-9-25-12/h4-8H,9H2,1-3H3,(H,20,27)