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

Systemtic Name: (4S)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-propyl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-propyl-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-propyl-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-propyl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-4-propyl-3,4-dihydropyridine-3-carbonitrile Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H]1C(C(=NC(=C1C(=O)C)C)SCC(=O)C2=CC=C(C=C2)Br)C#N

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/h6-9,16-17H,4-5,11H2,1-3H3/t16-,17?/m0/s1