4-[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N4O3S/c1-3-24-18(14-6-4-13(2)5-7-14)22-23-20(24)28-12-17(25)21-16-10-8-15(9-11-16)19(26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)