2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-methylheptan-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-methylheptan-2-yl)pyridine-3-carboxamide Openeye Name: N-(1,5-dimethylhexyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(6-methylheptan-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-methylheptan-2-yl)pyridine-3-carboxamide Traditional Name: N-(1,5-dimethylhexyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C20H29N3O2S/c1-13(2)8-6-9-14(3)22-19(24)17-10-7-11-21-20(17)26-12-18-15(4)23-25-16(18)5/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,22,24)