2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-phenyl-ethanamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-(1,3-dioxoisoindolin-2-yl)-2-phenyl-acetamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-2-phenylacetamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]-2-phenyl-2-phthalimido-acetamide Formula: C27H19N5O3S MolecularWeight: 493.53646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C27H19N5O3S/c1-36-27-21(16-28)23(30-32(27)18-12-6-3-7-13-18)29-24(33)22(17-10-4-2-5-11-17)31-25(34)19-14-8-9-15-20(19)26(31)35/h2-15,22H,1H3,(H,29,30,33)