4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-7-methoxy-coumarin Formula: C25H17FN2O3S MolecularWeight: 444.477483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H17FN2O3S/c1-30-18-10-11-19-16(12-23(29)31-22(19)13-18)14-32-25-21-5-3-2-4-20(21)24(27-28-25)15-6-8-17(26)9-7-15/h2-13H,14H2,1H3