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

Systemtic Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-[isobutyl(methyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-[isobutyl(methyl)amino]benzyl]thio]nicotinic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-13(2)11-20(3)16-9-5-4-7-14(16)12-23-17-15(18(21)22)8-6-10-19-17/h4-10,13H,11-12H2,1-3H3,(H,21,22)