(4-acetamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-acetamidophenyl) 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-acetamidophenyl) ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-14(2)16-4-8-18(9-5-16)25-13-22-24-21(25)29-12-20(27)28-19-10-6-17(7-11-19)23-15(3)26/h4-11,13-14H,12H2,1-3H3,(H,23,26)