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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)propanamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-3-phthalimido-propionamide Formula: C23H19N5O3S MolecularWeight: 445.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C23H19N5O3S/c1-2-32-23-18(14-24)20(26-28(23)15-8-4-3-5-9-15)25-19(29)12-13-27-21(30)16-10-6-7-11-17(16)22(27)31/h3-11H,2,12-13H2,1H3,(H,25,26,29)