methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H15FN2O3S MolecularWeight: 394.418803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN2O3S/c1-26-21(25)18-11-10-15(27-18)12-28-20-17-5-3-2-4-16(17)19(23-24-20)13-6-8-14(22)9-7-13/h2-11H,12H2,1H3