2-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxylate Formula: C20H11N4O4S- MolecularWeight: 403.39074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H12N4O4S/c1-29-16-15(10-21)17(24(22-16)12-5-3-2-4-6-12)23-18(25)13-8-7-11(20(27)28)9-14(13)19(23)26/h2-9H,1H3,(H,27,28)/p-1