4-(4-bromophenyl)-5-ethanoyl-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-5-ethanoyl-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-bromophenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-bromophenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-bromophenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-bromophenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O2S/c1-14-21(15(2)27)22(17-8-10-18(24)11-9-17)19(12-25)23(26-14)29-13-20(28)16-6-4-3-5-7-16/h3-11,22,26H,13H2,1-2H3