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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-isoindolyl)-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-(1,3-dioxoisoindol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-1-phenyl-5-phthalimido-pyrazole-4-carbonitrile Formula: C25H16N4O2S MolecularWeight: 436.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H16N4O2S/c26-15-21-22(32-16-17-9-3-1-4-10-17)27-29(18-11-5-2-6-12-18)23(21)28-24(30)19-13-7-8-14-20(19)25(28)31/h1-14H,16H2