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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-methyl-acetamide Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4OS/c1-25(12-4-11-22)18(26)13-27-20-17-6-3-2-5-16(17)19(23-24-20)14-7-9-15(21)10-8-14/h2-3,5-10H,4,12-13H2,1H3