N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C22H16N6O5S MolecularWeight: 476.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N6O5S/c1-2-34-22-15(11-23)19(25-27(22)13-7-4-3-5-8-13)24-17(29)12-26-20(30)14-9-6-10-16(28(32)33)18(14)21(26)31/h3-10H,2,12H2,1H3,(H,24,25,29)