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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

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