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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C23H18N6O5S MolecularWeight: 490.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O5S/c24-12-16-20(26-27-21(16)35-13-14-6-2-1-3-7-14)25-18(30)10-5-11-28-22(31)15-8-4-9-17(29(33)34)19(15)23(28)32/h1-4,6-9H,5,10-11,13H2,(H2,25,26,27,30)