2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)ethanamide

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)ethanamide Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)acetamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]acetamide IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)acetamide Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]acetamide Formula: C15H10BrN5O3S MolecularWeight: 420.2406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C15H10BrN5O3S/c1-25-13-10(5-17)12(19-20-13)18-11(22)6-21-14(23)8-3-2-7(16)4-9(8)15(21)24/h2-4H,6H2,1H3,(H2,18,19,20,22)