6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)hexanamide

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)hexanamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-6-(1,3-dioxoisoindolin-2-yl)hexanamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-6-(1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]-6-phthalimido-hexanamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C25H23N5O3S/c1-34-25-20(16-26)22(28-30(25)17-10-4-2-5-11-17)27-21(31)14-6-3-9-15-29-23(32)18-12-7-8-13-19(18)24(29)33/h2,4-5,7-8,10-13H,3,6,9,14-15H2,1H3,(H,27,28,31)