2-[[4-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3)OC

InChI

InChI=1S/C17H16N4O4S/c1-24-13-6-12(7-14(8-13)25-2)21-16(11-4-3-5-18-9-11)19-20-17(21)26-10-15(22)23/h3-9H,10H2,1-2H3,(H,22,23)