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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)propanamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-phthalimido-propionamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13N5O3S/c1-25-14-11(8-17)13(19-20-14)18-12(22)6-7-21-15(23)9-4-2-3-5-10(9)16(21)24/h2-5H,6-7H2,1H3,(H2,18,19,20,22)