N-[(1S,2S)-2-oxidanylcyclohexyl]-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1S,2S)-2-oxidanylcyclohexyl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-[(1S,2S)-2-hydroxycyclohexyl]nicotinamide Formula: C17H26N2O2S MolecularWeight: 322.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NC2CCCCC2O

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N[C@H]2CCCC[C@@H]2O

InChI

InChI=1S/C17H26N2O2S/c1-2-3-6-12-22-17-13(8-7-11-18-17)16(21)19-14-9-4-5-10-15(14)20/h7-8,11,14-15,20H,2-6,9-10,12H2,1H3,(H,19,21)/t14-,15-/m0/s1