6-[(1-phenyl-1-pyridin-2-ylsulfanyl-propan-2-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(1-phenyl-1-pyridin-2-ylsulfanyl-propan-2-yl)amino]pyridine-3-carboxylic acid Openeye Name: 6-[[1-methyl-2-phenyl-2-(2-pyridylsulfanyl)ethyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[1-phenyl-1-(2-pyridinylthio)propan-2-yl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(1-phenyl-1-pyridin-2-ylsulfanylpropan-2-yl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[[1-methyl-2-phenyl-2-(2-pyridylthio)ethyl]amino]nicotinic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)SC2=CC=CC=N2)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C(C1=CC=CC=C1)SC2=CC=CC=N2)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19N3O2S/c1-14(23-17-11-10-16(13-22-17)20(24)25)19(15-7-3-2-4-8-15)26-18-9-5-6-12-21-18/h2-14,19H,1H3,(H,22,23)(H,24,25)