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

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C17H14N6O5S MolecularWeight: 414.39526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(=O)CCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(=O)CCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O5S/c1-29-15-10(8-18)14(20-21-15)19-12(24)6-3-7-22-16(25)9-4-2-5-11(23(27)28)13(9)17(22)26/h2,4-5H,3,6-7H2,1H3,(H2,19,20,21,24)