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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)C1=C(N=CC=C1)SCC2=C(ON=C2C)C

Isomeric SMILES

CCCCCCCCCNC(=O)C1=C(N=CC=C1)SCC2=C(ON=C2C)C

InChI

InChI=1S/C21H31N3O2S/c1-4-5-6-7-8-9-10-13-22-20(25)18-12-11-14-23-21(18)27-15-19-16(2)24-26-17(19)3/h11-12,14H,4-10,13,15H2,1-3H3,(H,22,25)