4-(5-cyanopyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(5-cyanopyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(5-cyano-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(5-cyano-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(5-cyanopyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(5-cyano-2-pyridyl)thio]benzoic acid Formula: C13H8N2O2S MolecularWeight: 256.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=NC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=NC=C(C=C2)C#N

InChI

InChI=1S/C13H8N2O2S/c14-7-9-1-6-12(15-8-9)18-11-4-2-10(3-5-11)13(16)17/h1-6,8H,(H,16,17)