2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]propanamide

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]propanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]propanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-(5-bromo-1,3-diketo-isoindolin-2-yl)propionamide Formula: C22H16BrN5O3S MolecularWeight: 510.36314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H16BrN5O3S/c1-12(28-21(30)15-8-7-14(23)9-16(15)22(28)31)19(29)25-18-17(10-24)20(27-26-18)32-11-13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H2,25,26,27,29)