(4-cyanophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate hydrochloride

Systemtic Name: (4-cyanophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate hydrochloride Openeye Name: (4-cyanophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate hydrochloride CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester hydrochloride IUPAC Name: (4-cyanophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate hydrochloride Traditional Name: 2-(methylthio)nicotinic acid (4-cyanobenzyl) ester hydrochloride Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C#N.Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C#N.Cl

InChI

InChI=1S/C15H12N2O2S.ClH/c1-20-14-13(3-2-8-17-14)15(18)19-10-12-6-4-11(9-16)5-7-12;/h2-8H,10H2,1H3;1H