2-ethylsulfanyl-N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]pyridine-3-carboxamide Openeye Name: 2-ethylsulfanyl-N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-ethylsulfanyl-N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]pyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]nicotinamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2(CCCCC2O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-2-25-19-16(11-8-14-21-19)18(24)22-20(13-7-6-12-17(20)23)15-9-4-3-5-10-15/h3-5,8-11,14,17,23H,2,6-7,12-13H2,1H3,(H,22,24)/t17-,20-/m1/s1