(4-acetamidophenyl) 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-acetamidophenyl) 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-methyl-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:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N4O3S/c1-14-22-23-20(24(14)12-16-6-4-3-5-7-16)28-13-19(26)27-18-10-8-17(9-11-18)21-15(2)25/h3-11H,12-13H2,1-2H3,(H,21,25)