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

Systemtic Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-7-methyl-coumarin Formula: C25H17FN2O2S MolecularWeight: 428.478083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H17FN2O2S/c1-15-6-11-19-17(13-23(29)30-22(19)12-15)14-31-25-21-5-3-2-4-20(21)24(27-28-25)16-7-9-18(26)10-8-16/h2-13H,14H2,1H3