6-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 6-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-cyano-2-methyl-N-phenyl-nicotinamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC(=C(C=C2Br)OC)OC)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC(=C(C=C2Br)OC)OC)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O3S/c1-14-18(22(28)27-17-7-5-4-6-8-17)9-15(12-25)23(26-14)31-13-16-10-20(29-2)21(30-3)11-19(16)24/h4-11H,13H2,1-3H3,(H,27,28)