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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CC=C3OC

InChI

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