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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

InChI

InChI=1S/C23H21N5O2S/c1-3-15-7-4-6-14(2)21(15)27-19(29)9-11-31-23-17(13-25)20(18-8-5-10-30-18)16(12-24)22(26)28-23/h4-8,10H,3,9,11H2,1-2H3,(H2,26,28)(H,27,29)