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

Systemtic Name: propan-2-yl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C18H22N4O3S/c1-11(2)25-16(24)10-26-18-21-20-17(13-7-8-13)22(18)15-6-4-5-14(9-15)19-12(3)23/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,19,23)