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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(2,4-dimethoxyphenyl)propionamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)OC

InChI

InChI=1S/C22H19N5O4S/c1-29-13-5-6-16(18(10-13)30-2)26-19(28)7-9-32-22-15(12-24)20(17-4-3-8-31-17)14(11-23)21(25)27-22/h3-6,8,10H,7,9H2,1-2H3,(H2,25,27)(H,26,28)