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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(3,5-dimethylphenyl)propionamide Formula: C22H19N5O2S MolecularWeight: 417.48356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

InChI

InChI=1S/C22H19N5O2S/c1-12-7-13(2)9-15(8-12)26-21(28)14(3)30-22-17(11-24)19(18-5-4-6-29-18)16(10-23)20(25)27-22/h4-9,14H,1-3H3,(H2,25,27)(H,26,28)