2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(p-tolylsulfanyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-[(4-methylphenyl)thio]ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(p-tolylthio)ethylthio]nicotinic acid Formula: C15H15NO2S2 MolecularWeight: 305.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO2S2/c1-11-4-6-12(7-5-11)19-9-10-20-14-13(15(17)18)3-2-8-16-14/h2-8H,9-10H2,1H3,(H,17,18)