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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C21H14N6O5S MolecularWeight: 462.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O5S/c22-9-14-18(24-25-19(14)33-11-12-5-2-1-3-6-12)23-16(28)10-26-20(29)13-7-4-8-15(27(31)32)17(13)21(26)30/h1-8H,10-11H2,(H2,23,24,25,28)