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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H18N2O2S/c1-2-9-17-14-8-4-3-6-12(14)11-21-15-13(16(19)20)7-5-10-18-15/h3-8,10,17H,2,9,11H2,1H3,(H,19,20)