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

Systemtic Name: propan-2-yl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-14(2)28-18(26)13-29-21-24-23-19(25(21)3)15-9-11-17(12-10-15)22-20(27)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,27)