2-[[2-(2-methylpropylamino)phenyl]methylsulfanyl]pyridine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)CNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12(2)10-19-15-8-4-3-6-13(15)11-22-16-14(17(20)21)7-5-9-18-16/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)