5-bromanyl-N-(4-cyano-2,6-diethyl-phenyl)-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(4-cyano-2,6-diethyl-phenyl)-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-bromo-N-(4-cyano-2,6-diethyl-phenyl)-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxo-pyridine-3-carboxamide CAS Name: 5-bromo-N-(4-cyano-2,6-diethylphenyl)-1,6-dimethyl-2-[(methylthio)methyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(4-cyano-2,6-diethylphenyl)-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-bromo-N-(4-cyano-2,6-diethyl-phenyl)-4-keto-1,6-dimethyl-2-[(methylthio)methyl]nicotinamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)C)CSC)CC)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)C)CSC)CC)C#N

InChI

InChI=1S/C21H24BrN3O2S/c1-6-14-8-13(10-23)9-15(7-2)19(14)24-21(27)17-16(11-28-5)25(4)12(3)18(22)20(17)26/h8-9H,6-7,11H2,1-5H3,(H,24,27)