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

Systemtic Name: N-[(1S,2S)-2-oxidanylcyclohexyl]-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide CAS Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-[(1S,2S)-2-hydroxycyclohexyl]nicotinamide Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)O

InChI

InChI=1S/C19H22N2O2S/c22-17-11-5-4-10-16(17)21-18(23)15-9-6-12-20-19(15)24-13-14-7-2-1-3-8-14/h1-3,6-9,12,16-17,22H,4-5,10-11,13H2,(H,21,23)/t16-,17-/m0/s1