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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N6O5S/c1-34-22-15(12-23)19(25-27(22)13-6-3-2-4-7-13)24-17(29)10-11-26-20(30)14-8-5-9-16(28(32)33)18(14)21(26)31/h2-9H,10-11H2,1H3,(H,24,25,29)