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

Systemtic Name: propan-2-yl 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-9(2)20-12(19)8-21-14-17-16-13(18(14)3)10-4-6-11(15)7-5-10/h4-7,9H,8H2,1-3H3