2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-methylsulfanyl-butanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(methylthio)-2-phthalimido-butyramide Formula: C26H20N6O3S MolecularWeight: 496.5404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C#N)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSCCC(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C#N)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H20N6O3S/c1-36-13-12-21(31-25(34)18-7-3-4-8-19(18)26(31)35)24(33)30-23-17(14-27)15-28-32(23)22-11-10-16-6-2-5-9-20(16)29-22/h2-11,15,21H,12-13H2,1H3,(H,30,33)