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

Systemtic Name: 5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(5-nitro-1,3-dioxo-2-isoindolyl)-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-(5-nitro-1,3-dioxoisoindol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(1,3-diketo-5-nitro-isoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile Formula: C25H15N5O4S MolecularWeight: 481.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H15N5O4S/c26-14-21-22(35-15-16-7-3-1-4-8-16)27-29(17-9-5-2-6-10-17)23(21)28-24(31)19-12-11-18(30(33)34)13-20(19)25(28)32/h1-13H,15H2