6-[1-[2-(phenylmethylsulfanyl)phenyl]propan-2-ylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-[2-(phenylmethylsulfanyl)phenyl]propan-2-ylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[2-(2-benzylsulfanylphenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[1-[2-(phenylmethylthio)phenyl]propan-2-ylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(2-benzylsulfanylphenyl)propan-2-ylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-[2-(benzylthio)phenyl]-1-methyl-ethyl]amino]nicotinic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1SCC2=CC=CC=C2)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1SCC2=CC=CC=C2)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O2S/c1-16(24-21-12-11-19(14-23-21)22(25)26)13-18-9-5-6-10-20(18)27-15-17-7-3-2-4-8-17/h2-12,14,16H,13,15H2,1H3,(H,23,24)(H,25,26)