4-(pyridin-4-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(pyridin-4-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(4-pyridylsulfanylmethyl)benzoic acid CAS Name: 4-[(pyridin-4-ylthio)methyl]benzoic acid IUPAC Name: 4-(pyridin-4-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(4-pyridylthio)methyl]benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=NC=C2)C(=O)O

InChI

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