(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-15-9-11-17(12-10-15)29-21-18(8-5-13-23-21)22(26)27-14-19-24-25-20(28-19)16-6-3-2-4-7-16/h2-13H,14H2,1H3