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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N)C

InChI

InChI=1S/C22H19N5O2S/c1-13-5-3-6-17(14(13)2)26-19(28)8-10-30-22-16(12-24)20(18-7-4-9-29-18)15(11-23)21(25)27-22/h3-7,9H,8,10H2,1-2H3,(H2,25,27)(H,26,28)