2-methylsulfanyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-[[2-(benzyloxymethyl)phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[2-(benzoxymethyl)benzyl]-2-(methylthio)nicotinamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2COCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2COCC3=CC=CC=C3

InChI

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