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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-phenyl-acetamide Formula: C25H19FN4OS MolecularWeight: 442.507963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FN4OS/c26-19-13-11-18(12-14-19)24-21-9-4-5-10-22(21)25(29-28-24)32-17-23(31)30(16-6-15-27)20-7-2-1-3-8-20/h1-5,7-14H,6,16-17H2