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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H16N3O3S- MolecularWeight: 354.40294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-12-7-3-4-8-13(12)17-19-20-18(25-11-16(22)23)21(17)14-9-5-6-10-15(14)24-2/h3-10H,11H2,1-2H3,(H,22,23)/p-1