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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-isobutyl-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-isobutyl-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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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)CC(C)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2S/c1-12(2)9-17-18(10-23)21(24-13(3)20(17)14(4)25)27-11-19(26)15-5-7-16(22)8-6-15/h5-8,12,17,24H,9,11H2,1-4H3