(4S)-4-(4-bromophenyl)-2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-6-methyl-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-4-(4-bromophenyl)-2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-6-methyl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-4-(4-bromophenyl)-2-[(E)-but-2-enyl]sulfanyl-6-methyl-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-4-(4-bromophenyl)-2-[[(E)-but-2-enyl]thio]-6-methyl-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-4-(4-bromophenyl)-2-[(E)-but-2-enyl]sulfanyl-6-methyl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-4-(4-bromophenyl)-2-[[(E)-but-2-enyl]thio]-6-methyl-3,4-dihydropyridine-3-carbonitrile Formula: C19H19BrN2OS MolecularWeight: 403.33596

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC(=C(C(C1C#N)C2=CC=C(C=C2)Br)C(=O)C)C

Isomeric SMILES

C/C=C/CSC1=NC(=C([C@@H](C1C#N)C2=CC=C(C=C2)Br)C(=O)C)C

InChI

InChI=1S/C19H19BrN2OS/c1-4-5-10-24-19-16(11-21)18(14-6-8-15(20)9-7-14)17(13(3)23)12(2)22-19/h4-9,16,18H,10H2,1-3H3/b5-4+/t16?,18-/m1/s1