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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]propionamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H14BrN5O3S/c1-2-27-15-12(8-19)14(21-22-15)20-13(24)5-6-23-16(25)10-4-3-9(18)7-11(10)17(23)26/h3-4,7H,2,5-6H2,1H3,(H2,20,21,22,24)