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

Systemtic Name: N-(4-bromophenyl)-2-[[(4R)-5-cyano-3-ethanoyl-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[(4R)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[(4R)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[(4R)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-(4-bromophenyl)acetamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)O)C#N)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=C(C=C2)O)C#N)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-13-21(14(2)28)22(15-3-9-18(29)10-4-15)19(11-25)23(26-13)31-12-20(30)27-17-7-5-16(24)6-8-17/h3-10,21-22,29H,12H2,1-2H3,(H,27,30)/t21?,22-/m1/s1