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

Systemtic Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C16H12N6O5S MolecularWeight: 400.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5S/c1-2-28-14-9(6-17)13(19-20-14)18-11(23)7-21-15(24)8-4-3-5-10(22(26)27)12(8)16(21)25/h3-5H,2,7H2,1H3,(H2,18,19,20,23)