tert-butyl 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H24ClN3O2S MolecularWeight: 393.93076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H24ClN3O2S/c1-19(2,3)25-16(24)12-26-18-22-21-17(14-10-6-7-11-15(14)20)23(18)13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3