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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C21H16N6O4S MolecularWeight: 448.45454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C21H16N6O4S/c1-11-5-6-13(27(29)30)8-16(11)25-20(28)12(2)32-21-15(10-23)18(17-4-3-7-31-17)14(9-22)19(24)26-21/h3-8,12H,1-2H3,(H2,24,26)(H,25,28)