4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H23FN2O2S MolecularWeight: 470.557823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C(C)C

InChI

InChI=1S/C28H23FN2O2S/c1-16(2)23-14-24-19(13-26(32)33-25(24)12-17(23)3)15-34-28-22-7-5-4-6-21(22)27(30-31-28)18-8-10-20(29)11-9-18/h4-14,16H,15H2,1-3H3