5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-isoindolyl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-(ethylthio)-5-phthalimido-1H-pyrazole-4-carbonitrile Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10N4O2S/c1-2-21-12-10(7-15)11(16-17-12)18-13(19)8-5-3-4-6-9(8)14(18)20/h3-6H,2H2,1H3,(H,16,17)