4-(2-bromophenyl)-5-ethanoyl-6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 4-(2-bromophenyl)-5-ethanoyl-6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(2-bromophenyl)-6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(2-bromophenyl)-6-methyl-2-[(2-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(2-bromophenyl)-6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(2-bromophenyl)-6-methyl-2-[(2-nitrobenzyl)thio]-1,4-dihydropyridine-3-carbonitrile Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2[N+](=O)[O-])C#N)C3=CC=CC=C3Br)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2[N+](=O)[O-])C#N)C3=CC=CC=C3Br)C(=O)C

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/h3-10,21,25H,12H2,1-2H3