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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O2S/c1-33-23-10-5-4-9-22(23)31(16-6-15-28)24(32)17-34-26-21-8-3-2-7-20(21)25(29-30-26)18-11-13-19(27)14-12-18/h2-5,7-14H,6,16-17H2,1H3