N-(1-cyanocyclopentyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c23-15-22(12-6-7-13-22)24-19(27)14-28-21-18-11-5-4-10-17(18)20(25-26-21)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-14H2,(H,24,27)