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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c1-15-10-11-18(13-16(15)2)30-22-19(9-6-12-24-22)23(27)28-14-20-25-26-21(29-20)17-7-4-3-5-8-17/h3-13H,14H2,1-2H3