2-[[4-chloranyl-2-(dimethylamino)phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-2-(dimethylamino)phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-chloro-2-(dimethylamino)benzyl]thio]nicotinic acid Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O2S/c1-18(2)13-8-11(16)6-5-10(13)9-21-14-12(15(19)20)4-3-7-17-14/h3-8H,9H2,1-2H3,(H,19,20)