4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C26H21FN4O2S/c1-26(2)25(33)28-20-9-5-6-10-21(20)31(26)22(32)15-34-24-19-8-4-3-7-18(19)23(29-30-24)16-11-13-17(27)14-12-16/h3-14H,15H2,1-2H3,(H,28,33)