N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS/c1-15(2)22(3,14-23)24-19(27)13-28-21-18-12-8-7-11-17(18)20(25-26-21)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3,(H,24,27)/t22-/m0/s1