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

Systemtic Name: propan-2-yl 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)OC(C)C

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)OC(C)C

InChI

InChI=1S/C16H20N4O3S/c1-10(2)23-15(22)9-24-16-19-18-11(3)20(16)14-7-5-6-13(8-14)17-12(4)21/h5-8,10H,9H2,1-4H3,(H,17,21)