N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-piazthiol-4-yl-acetamide Formula: C22H14FN5OS2 MolecularWeight: 447.507863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC=CC4=NSN=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC=CC4=NSN=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H14FN5OS2/c23-14-10-8-13(9-11-14)20-15-4-1-2-5-16(15)22(26-25-20)30-12-19(29)24-17-6-3-7-18-21(17)28-31-27-18/h1-11H,12H2,(H,24,29)