3-cyanopropyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: 3-cyanopropyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: 3-cyanopropyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid 3-cyanopropyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCCCC#N

InChI

InChI=1S/C16H14N2O2S/c17-10-4-5-12-20-16(19)14-9-6-11-18-15(14)21-13-7-2-1-3-8-13/h1-3,6-9,11H,4-5,12H2