N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-veratryl-acetamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H22FN3O3S/c1-31-21-12-7-16(13-22(21)32-2)14-27-23(30)15-33-25-20-6-4-3-5-19(20)24(28-29-25)17-8-10-18(26)11-9-17/h3-13H,14-15H2,1-2H3,(H,27,30)