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

Systemtic Name: 4-(5-methylpyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(5-methyl-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(5-methyl-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(5-methylpyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(5-methyl-2-pyridyl)thio]benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO2S/c1-9-2-7-12(14-8-9)17-11-5-3-10(4-6-11)13(15)16/h2-8H,1H3,(H,15,16)