2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[methyl(propyl)amino]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-[methyl(propyl)amino]benzyl]thio]nicotinic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-3-11-19(2)15-9-5-4-7-13(15)12-22-16-14(17(20)21)8-6-10-18-16/h4-10H,3,11-12H2,1-2H3,(H,20,21)