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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-12-6-8-15(9-7-12)21-17(14-5-3-4-13(2)10-14)19-20-18(21)24-11-16(22)23/h3-10H,11H2,1-2H3,(H,22,23)/p-1