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

Systemtic Name: N-(4-tert-butylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-14-12-17(24-26-14)13-27-20-18(6-5-11-22-20)19(25)23-16-9-7-15(8-10-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)