6-[methyl-[[2-(phenylmethylsulfanyl)phenyl]methyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[methyl-[[2-(phenylmethylsulfanyl)phenyl]methyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzylsulfanylphenyl)methyl-methyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[methyl-[[2-(phenylmethylthio)phenyl]methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(2-benzylsulfanylphenyl)methyl-methylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-(benzylthio)benzyl]-methyl-amino]nicotinic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-23(20-12-11-17(13-22-20)21(24)25)14-18-9-5-6-10-19(18)26-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,25)