(4S)-4-(4-bromophenyl)-3-ethanoyl-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-4-(4-bromophenyl)-3-ethanoyl-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(4-bromophenyl)-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(4-bromophenyl)-2-methyl-6-(3-methylbut-2-enylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(4-bromophenyl)-2-methyl-6-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(4-bromophenyl)-2-methyl-6-(3-methylbut-2-enylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)Br)C#N)SCC=C(C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=C(C=C2)Br)C#N)SCC=C(C)C

InChI

InChI=1S/C20H21BrN2OS/c1-12(2)9-10-25-20-17(11-22)19(15-5-7-16(21)8-6-15)18(14(4)24)13(3)23-20/h5-9,18-19H,10H2,1-4H3/t18?,19-/m0/s1