5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C13H7BrN4O2S MolecularWeight: 363.18928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C13H7BrN4O2S/c1-21-11-9(5-15)10(16-17-11)18-12(19)7-3-2-6(14)4-8(7)13(18)20/h2-4H,1H3,(H,16,17)