6-methyl-2-phenylsulfanyl-pyridine-3-carboxylate

Systemtic Name: 6-methyl-2-phenylsulfanyl-pyridine-3-carboxylate Openeye Name: 6-methyl-2-phenylsulfanyl-pyridine-3-carboxylate CAS Name: 6-methyl-2-(phenylthio)-3-pyridinecarboxylate IUPAC Name: 6-methyl-2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 6-methyl-2-(phenylthio)nicotinate Formula: C13H10NO2S- MolecularWeight: 244.289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)[O-])SC2=CC=CC=C2

InChI

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