(4-cyanophenyl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid (4-cyanobenzyl) ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H18N2O2S/c1-15-5-10-19(12-16(15)2)27-21-20(4-3-11-24-21)22(25)26-14-18-8-6-17(13-23)7-9-18/h3-12H,14H2,1-2H3