4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C26H19FN2O2S MolecularWeight: 442.504663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C26H19FN2O2S/c1-15-7-12-20-18(13-23(30)31-25(20)16(15)2)14-32-26-22-6-4-3-5-21(22)24(28-29-26)17-8-10-19(27)11-9-17/h3-13H,14H2,1-2H3