2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H16N3O4S- MolecularWeight: 370.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C18H17N3O4S/c1-24-14-8-6-13(7-9-14)21-17(12-4-3-5-15(10-12)25-2)19-20-18(21)26-11-16(22)23/h3-10H,11H2,1-2H3,(H,22,23)/p-1