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

Systemtic Name: N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-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=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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