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

Systemtic Name: (4S)-4-(2-bromophenyl)-3-ethanoyl-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(2-bromophenyl)-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(2-bromophenyl)-2-methyl-6-[(2-nitrophenyl)methylthio]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(2-bromophenyl)-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(2-bromophenyl)-2-methyl-6-[(2-nitrobenzyl)thio]-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=C2Br)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2Br)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O3S/c1-13-20(14(2)27)21(16-8-4-5-9-18(16)23)17(11-24)22(25-13)30-12-15-7-3-6-10-19(15)26(28)29/h3-10,20-21H,12H2,1-2H3/t20?,21-/m1/s1