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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(2-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(1,3-dioxoisoindolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(1,3-dioxo-2-isoindolyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(1,3-dioxoisoindol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-1-phenyl-5-phthalimido-pyrazole-4-carbonitrile Formula: C25H15ClN4O2S MolecularWeight: 470.9302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H15ClN4O2S/c26-21-13-7-4-8-16(21)15-33-22-20(14-27)23(30(28-22)17-9-2-1-3-10-17)29-24(31)18-11-5-6-12-19(18)25(29)32/h1-13H,15H2