2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C21H15N5O4S MolecularWeight: 433.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

InChI

InChI=1S/C21H15N5O4S/c1-11(20(27)25-12-4-5-15-17(7-12)30-10-29-15)31-21-14(9-23)18(16-3-2-6-28-16)13(8-22)19(24)26-21/h2-7,11H,10H2,1H3,(H2,24,26)(H,25,27)