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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N)OCO2

InChI

InChI=1S/C18H13N5O4S/c1-9(24)12-3-14-15(27-8-26-14)4-13(12)22-16(25)7-28-18-11(6-20)2-10(5-19)17(21)23-18/h2-4H,7-8H2,1H3,(H2,21,23)(H,22,25)