2-[(4-dimethylaminophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-dimethylaminophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(dimethylamino)benzyl]thio]nicotinic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c1-17(2)12-7-5-11(6-8-12)10-20-14-13(15(18)19)4-3-9-16-14/h3-9H,10H2,1-2H3,(H,18,19)