N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-6-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-6-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-propylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-(propylthio)nicotinamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C=C1)C(=O)NC2(CCCCC2O)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC=C(C=C1)C(=O)N[C@]2(CCCC[C@H]2O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-14-26-19-12-11-16(15-22-19)20(25)23-21(13-7-6-10-18(21)24)17-8-4-3-5-9-17/h3-5,8-9,11-12,15,18,24H,2,6-7,10,13-14H2,1H3,(H,23,25)/t18-,21-/m1/s1