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

Systemtic Name: N-[2-(dimethylaminomethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[2-(dimethylaminomethyl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[2-(dimethylaminomethyl)phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[2-(dimethylaminomethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[2-(dimethylaminomethyl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3CN(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3CN(C)C

InChI

InChI=1S/C21H24N4O2S/c1-14-18(15(2)27-24-14)13-28-21-17(9-7-11-22-21)20(26)23-19-10-6-5-8-16(19)12-25(3)4/h5-11H,12-13H2,1-4H3,(H,23,26)