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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(3-bromophenyl)methylthio]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[(3-bromophenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(3-bromobenzyl)thio]-6-methyl-4-(2-nitrophenyl)-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)Br)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

Isomeric SMILES

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

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