3-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC(=CC=C3)NC(=O)C

InChI

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