2-[3-cyano-4-(2-methylpropylsulfanyl)phenyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(2-methylpropylsulfanyl)phenyl]pyridine-4-carboxylic acid Openeye Name: 2-(3-cyano-4-isobutylsulfanyl-phenyl)pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(2-methylpropylthio)phenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(2-methylpropylsulfanyl)phenyl]pyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(isobutylthio)phenyl]isonicotinic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C17H16N2O2S/c1-11(2)10-22-16-4-3-12(7-14(16)9-18)15-8-13(17(20)21)5-6-19-15/h3-8,11H,10H2,1-2H3,(H,20,21)