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

Systemtic Name: propan-2-yl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-8(2)19-11(18)7-20-13-15-12(16-17-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,16,17)