N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-22(14-23,16-11-12-16)24-19(27)13-28-21-18-10-6-5-9-17(18)20(25-26-21)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3,(H,24,27)/t22-/m0/s1