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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-methyl-butanamide Openeye Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide CAS Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanamide IUPAC Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide Traditional Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-3-methyl-2-phthalimido-butyramide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19N5O3S/c1-4-28-17-13(9-20)15(22-23-17)21-16(25)14(10(2)3)24-18(26)11-7-5-6-8-12(11)19(24)27/h5-8,10,14H,4H2,1-3H3,(H2,21,22,23,25)