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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-bromophenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(2-bromophenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(2-bromophenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-bromophenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(2-bromophenyl)propionamide Formula: C20H14BrN5O2S MolecularWeight: 468.32646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C20H14BrN5O2S/c1-11(19(27)25-15-6-3-2-5-14(15)21)29-20-13(10-23)17(16-7-4-8-28-16)12(9-22)18(24)26-20/h2-8,11H,1H3,(H2,24,26)(H,25,27)