4-(pyridin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 4-(pyridin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(2-pyridylmethylsulfanyl)benzoic acid CAS Name: 4-(2-pyridinylmethylthio)benzoic acid IUPAC Name: 4-(pyridin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(2-pyridylmethylthio)benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8H,9H2,(H,15,16)