6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-ethanoyl-2-methylidene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-ethanoyl-2-methylidene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 3-acetyl-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2-methylene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 3-acetyl-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-methylene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 3-acetyl-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-methylidene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 3-acetyl-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-2-methylene-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=C)NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)C(=O)C

Isomeric SMILES

CCCC1C(C(=C)NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)C(=O)C

InChI

InChI=1S/C20H21BrN2O2S/c1-4-5-16-17(10-22)20(23-12(2)19(16)13(3)24)26-11-18(25)14-6-8-15(21)9-7-14/h6-9,16,19,23H,2,4-5,11H2,1,3H3