[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NOC(=N1)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-13(2)11-16-21-17(25-22-16)12-24-19(23)15-9-6-10-20-18(15)26-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3