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

Systemtic Name: 4-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-bromophenyl)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-bromophenyl)-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C23H18BrClN2O2S MolecularWeight: 501.82322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrClN2O2S/c1-13-21(14(2)28)22(16-3-7-17(24)8-4-16)19(11-26)23(27-13)30-12-20(29)15-5-9-18(25)10-6-15/h3-10,22,27H,12H2,1-2H3