2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-(p-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)thio]nicotinate Formula: C14H12NO2S- MolecularWeight: 258.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

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