(4R)-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O4S/c1-13-21(14(2)28)22(17-5-3-4-6-19(17)27(30)31)18(11-25)23(26-13)32-12-20(29)15-7-9-16(24)10-8-15/h3-10,21-22H,12H2,1-2H3/t21?,22-/m1/s1