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

Systemtic Name: 3-[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)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-phthalimido-propionamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H17N5O3S/c23-12-17-19(25-26-20(17)31-13-14-6-2-1-3-7-14)24-18(28)10-11-27-21(29)15-8-4-5-9-16(15)22(27)30/h1-9H,10-11,13H2,(H2,24,25,26,28)