methyl 3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H18FN3O3S MolecularWeight: 447.481423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18FN3O3S/c1-31-24(30)16-5-4-6-18(13-16)26-21(29)14-32-23-20-8-3-2-7-19(20)22(27-28-23)15-9-11-17(25)12-10-15/h2-13H,14H2,1H3,(H,26,29)