(4S)-6-[(3-bromophenyl)methylsulfanyl]-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-6-[(3-bromophenyl)methylsulfanyl]-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-6-[(3-bromophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-6-[(3-bromophenyl)methylthio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-6-[(3-bromophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-6-[(3-bromobenzyl)thio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-13-20(14(2)27)21(17-8-3-4-9-19(17)26(28)29)18(11-24)22(25-13)30-12-15-6-5-7-16(23)10-15/h3-10,20-21H,12H2,1-2H3/t20?,21-/m0/s1