2-ethylsulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-benzyloxycyclohexyl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-ethylsulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-benzoxycyclohexyl]-2-(ethylthio)nicotinamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2CCCCC2OCC3=CC=CC=C3

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N[C@@H]2CCCC[C@H]2OCC3=CC=CC=C3

InChI

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