3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylic acid Openeye Name: 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylic acid CAS Name: 3-[[4-(methylthio)phenyl]methyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylic acid Traditional Name: 3-[4-(methylthio)benzyl]isonicotinic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=C(C=CN=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=C(C=CN=C2)C(=O)O

InChI

InChI=1S/C14H13NO2S/c1-18-12-4-2-10(3-5-12)8-11-9-15-7-6-13(11)14(16)17/h2-7,9H,8H2,1H3,(H,16,17)