N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C23H14ClFN4OS MolecularWeight: 448.899863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H14ClFN4OS/c24-16-8-5-15(12-26)20(11-16)27-21(30)13-31-23-19-4-2-1-3-18(19)22(28-29-23)14-6-9-17(25)10-7-14/h1-11H,13H2,(H,27,30)