2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

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/h3-10,22,26H,12H2,1-2H3