methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C22H17FN2O3S/c1-13-19(22(26)27-2)11-16(28-13)12-29-21-18-6-4-3-5-17(18)20(24-25-21)14-7-9-15(23)10-8-14/h3-11H,12H2,1-2H3