2-(6-azanyl-3,5-dicyano-4-cyclopropyl-pyridin-2-yl)sulfanyl-N-(4-bromophenyl)propanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-cyclopropyl-pyridin-2-yl)sulfanyl-N-(4-bromophenyl)propanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridyl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-cyclopropylpyridin-2-yl)sulfanyl-N-(4-bromophenyl)propanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridyl)thio]-N-(4-bromophenyl)propionamide Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=C(C(=C(C(=N2)N)C#N)C3CC3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=C(C(=C(C(=N2)N)C#N)C3CC3)C#N

InChI

InChI=1S/C19H16BrN5OS/c1-10(18(26)24-13-6-4-12(20)5-7-13)27-19-15(9-22)16(11-2-3-11)14(8-21)17(23)25-19/h4-7,10-11H,2-3H2,1H3,(H2,23,25)(H,24,26)