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

Systemtic Name: ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-2-25-17(24)11-7-13-26-19-22-21-18(15-8-6-12-20-14-15)23(19)16-9-4-3-5-10-16/h3-6,8-10,12,14H,2,7,11,13H2,1H3