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

Systemtic Name: 3-ethylsulfanyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-ethylsulfanyl-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 3-(ethylthio)-5-(4-nitro-1,3-dioxo-2-isoindolyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-5-(4-nitro-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O4S/c1-2-24-12-8(6-15)11(16-17-12)18-13(20)7-4-3-5-9(19(22)23)10(7)14(18)21/h3-5H,2H2,1H3,(H,16,17)