phenyl 2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: phenyl 2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: phenyl 2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,4-dimethylphenyl)thio]nicotinic acid phenyl ester Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H17NO2S/c1-14-10-11-18(15(2)13-14)24-19-17(9-6-12-21-19)20(22)23-16-7-4-3-5-8-16/h3-13H,1-2H3