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

Systemtic Name: ethyl 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C19H19ClN4O2S/c1-2-26-17(25)9-5-11-27-19-23-22-18(14-6-4-10-21-13-14)24(19)16-8-3-7-15(20)12-16/h3-4,6-8,10,12-13H,2,5,9,11H2,1H3