4-[(6-chloranylpyridin-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(6-chloranylpyridin-3-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(6-chloro-3-pyridyl)methylsulfanyl]benzoic acid CAS Name: 4-[(6-chloro-3-pyridinyl)methylthio]benzoic acid IUPAC Name: 4-[(6-chloropyridin-3-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(6-chloro-3-pyridyl)methylthio]benzoic acid Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=CN=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C13H10ClNO2S/c14-12-6-1-9(7-15-12)8-18-11-4-2-10(3-5-11)13(16)17/h1-7H,8H2,(H,16,17)