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

Systemtic Name: 3-methylsulfanyl-5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-(methylthio)-5-(5-nitro-1,3-dioxo-2-isoindolyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-(5-nitro-1,3-dioxoisoindol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-(methylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C19H11N5O4S MolecularWeight: 405.38674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H11N5O4S/c1-29-16-15(10-20)17(23(21-16)11-5-3-2-4-6-11)22-18(25)13-8-7-12(24(27)28)9-14(13)19(22)26/h2-9H,1H3