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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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