N-(4-bromophenyl)-2-[(3-cyano-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(3-cyano-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C23H20BrN3O2S/c1-14-21(15(2)28)22(16-6-4-3-5-7-16)19(12-25)23(26-14)30-13-20(29)27-18-10-8-17(24)9-11-18/h3-11,22,26H,13H2,1-2H3,(H,27,29)