2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(7-methyloctyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(7-methyloctyl)pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(7-methyloctyl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(7-methyloctyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(7-methyloctyl)pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(7-methyloctyl)nicotinamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCCCCC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCCCCC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-15(2)10-7-5-6-8-12-22-20(25)18-11-9-13-23-21(18)27-14-19-16(3)24-26-17(19)4/h9,11,13,15H,5-8,10,12,14H2,1-4H3,(H,22,25)