2-[[6-azanyl-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[[6-azanyl-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl]thio]-N-(4-bromophenyl)acetamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C22H18BrN5OS/c1-13-4-2-3-5-16(13)20-17(10-24)21(26)28-22(18(20)11-25)30-12-19(29)27-15-8-6-14(23)7-9-15/h2-9,20,28H,12,26H2,1H3,(H,27,29)