N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C3)C#N)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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