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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethylsulfanyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-3-ethylsulfanyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-isoindolyl)-3-(ethylthio)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-3-ethylsulfanyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(ethylthio)-1-phenyl-5-phthalimido-pyrazole-4-carbonitrile Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN(C(=C1C#N)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H14N4O2S/c1-2-27-17-16(12-21)18(24(22-17)13-8-4-3-5-9-13)23-19(25)14-10-6-7-11-15(14)20(23)26/h3-11H,2H2,1H3