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

Systemtic Name: 3-methylsulfanyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 3-(methylthio)-5-(4-nitro-1,3-dioxo-2-isoindolyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-methylsulfanyl-5-(4-nitro-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C13H7N5O4S MolecularWeight: 329.29078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O4S/c1-23-11-7(5-14)10(15-16-11)17-12(19)6-3-2-4-8(18(21)22)9(6)13(17)20/h2-4H,1H3,(H,15,16)