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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-isoindolyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-phthalimido-1H-pyrazole-4-carbonitrile Formula: C13H8N4O2S MolecularWeight: 284.29322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H8N4O2S/c1-20-11-9(6-14)10(15-16-11)17-12(18)7-4-2-3-5-8(7)13(17)19/h2-5H,1H3,(H,15,16)