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

Systemtic Name: 2-[[2-[ethyl(methyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-[ethyl(methyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[ethyl(methyl)amino]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[ethyl(methyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-[ethyl(methyl)amino]benzyl]thio]nicotinic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-3-18(2)14-9-5-4-7-12(14)11-21-15-13(16(19)20)8-6-10-17-15/h4-10H,3,11H2,1-2H3,(H,19,20)