2-(6-azanyl-3,5-dicyano-4-cyclopropyl-pyridin-2-yl)sulfanyl-N-(7-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-cyclopropyl-pyridin-2-yl)sulfanyl-N-(7-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(7-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(7-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(7-acetyl-1,3-benzodioxol-5-yl)-2-(6-amino-3,5-dicyano-4-cyclopropylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(7-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridyl)thio]acetamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC2=C1OCO2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC2=C1OCO2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N

InChI

InChI=1S/C21H17N5O4S/c1-10(27)13-4-12(5-16-19(13)30-9-29-16)25-17(28)8-31-21-15(7-23)18(11-2-3-11)14(6-22)20(24)26-21/h4-5,11H,2-3,8-9H2,1H3,(H2,24,26)(H,25,28)