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

Systemtic Name: N-(4-tert-butylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3O2S/c1-14-19(15(2)27-25-14)13-28-21-18(7-6-12-23-21)20(26)24-17-10-8-16(9-11-17)22(3,4)5/h6-12H,13H2,1-5H3,(H,24,26)