2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-cyanophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-cyanobenzyl)thio]nicotinic acid Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H10N2O2S/c15-8-10-3-5-11(6-4-10)9-19-13-12(14(17)18)2-1-7-16-13/h1-7H,9H2,(H,17,18)