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

Systemtic Name: (4-acetamidophenyl) 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-acetamidophenyl) 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetic acid (4-acetamidophenyl) ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H22N4O3S/c1-15(27)23-18-9-11-19(12-10-18)29-20(28)14-30-22-25-24-21(17-7-8-17)26(22)13-16-5-3-2-4-6-16/h2-6,9-12,17H,7-8,13-14H2,1H3,(H,23,27)