2-ethylsulfanyl-N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-2-ethylsulfanyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-2-ethylsulfanyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]pyridine-3-carboxamide Traditional Name: N-benzyl-2-(ethylthio)-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]nicotinamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N(CC2CCCC2O)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N(C[C@@H]2CCC[C@@H]2O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-26-20-18(11-7-13-22-20)21(25)23(14-16-8-4-3-5-9-16)15-17-10-6-12-19(17)24/h3-5,7-9,11,13,17,19,24H,2,6,10,12,14-15H2,1H3/t17-,19-/m0/s1