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

Systemtic Name: 2-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-1,3-diketo-isoindoline-5-carboxylate Formula: C15H9N4O4S- MolecularWeight: 341.32136

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H10N4O4S/c1-2-24-12-10(6-16)11(17-18-12)19-13(20)8-4-3-7(15(22)23)5-9(8)14(19)21/h3-5H,2H2,1H3,(H,17,18)(H,22,23)/p-1