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

Systemtic Name: tert-butyl 2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2Cl)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2Cl)C3=CC=NC=C3

InChI

InChI=1S/C19H19ClN4O2S/c1-19(2,3)26-16(25)12-27-18-23-22-17(13-8-10-21-11-9-13)24(18)15-7-5-4-6-14(15)20/h4-11H,12H2,1-3H3