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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=NN1)SC)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=C(C(=NN1)SC)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13N5O3S/c1-8(13(22)18-12-11(7-17)14(25-2)20-19-12)21-15(23)9-5-3-4-6-10(9)16(21)24/h3-6,8H,1-2H3,(H2,18,19,20,22)