N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C23H15FN4OS MolecularWeight: 414.454803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15FN4OS/c24-17-11-9-15(10-12-17)22-18-6-2-3-7-19(18)23(28-27-22)30-14-21(29)26-20-8-4-1-5-16(20)13-25/h1-12H,14H2,(H,26,29)