methyl 3-phenylsulfanylpyridine-4-carboxylate

Systemtic Name: methyl 3-phenylsulfanylpyridine-4-carboxylate Openeye Name: methyl 3-phenylsulfanylpyridine-4-carboxylate CAS Name: 3-(phenylthio)-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-phenylsulfanylpyridine-4-carboxylate Traditional Name: 3-(phenylthio)isonicotinic acid methyl ester Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C13H11NO2S/c1-16-13(15)11-7-8-14-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3