N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-amylcyclohexyl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C22H31N3O2S/c1-5-22(3,4)16-8-10-17(11-9-16)24-20(26)19-7-6-12-23-21(19)28-14-18-13-15(2)27-25-18/h6-7,12-13,16-17H,5,8-11,14H2,1-4H3,(H,24,26)