ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-sulfanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-sulfanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-thioxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-sulfanylidene-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-sulfanylidenephthalazin-1-yl]acetate Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-thioxo-phthalazin-1-yl]acetic acid ethyl ester Formula: C19H16BrFN2O2S MolecularWeight: 435.309943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)C2=CC=CC=C21)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)C2=CC=CC=C21)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrFN2O2S/c1-2-25-18(24)10-17-14-5-3-4-6-15(14)19(26)23(22-17)11-12-7-8-13(20)9-16(12)21/h3-9H,2,10-11H2,1H3