5-cyano-6-[(4-methylphenyl)methylsulfanyl]pyridine-2-carboxylate

Systemtic Name: 5-cyano-6-[(4-methylphenyl)methylsulfanyl]pyridine-2-carboxylate Openeye Name: 5-cyano-6-(p-tolylmethylsulfanyl)pyridine-2-carboxylate CAS Name: 5-cyano-6-[(4-methylphenyl)methylthio]-2-pyridinecarboxylate IUPAC Name: 5-cyano-6-[(4-methylphenyl)methylsulfanyl]pyridine-2-carboxylate Traditional Name: 5-cyano-6-[(4-methylbenzyl)thio]picolinate Formula: C15H11N2O2S- MolecularWeight: 283.32504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2S/c1-10-2-4-11(5-3-10)9-20-14-12(8-16)6-7-13(17-14)15(18)19/h2-7H,9H2,1H3,(H,18,19)/p-1