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

Systemtic Name: 3-ethylsulfanyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-ethylsulfanyl-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-(ethylthio)-5-(4-nitro-1,3-dioxo-2-isoindolyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-ethylsulfanyl-5-(4-nitro-1,3-dioxoisoindol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(ethylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C20H13N5O4S MolecularWeight: 419.41332

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H13N5O4S/c1-2-30-17-14(11-21)18(24(22-17)12-7-4-3-5-8-12)23-19(26)13-9-6-10-15(25(28)29)16(13)20(23)27/h3-10H,2H2,1H3