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

Systemtic Name: (4-acetamidophenyl) 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-acetamidophenyl) 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-acetamidophenyl) ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C

InChI

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