2-[3-[(4-bromanyl-3-chloranyl-phenyl)methyl]-4-sulfanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-bromanyl-3-chloranyl-phenyl)methyl]-4-sulfanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-bromo-3-chloro-phenyl)methyl]-4-thioxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-bromo-3-chlorophenyl)methyl]-4-sulfanylidene-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-bromo-3-chlorophenyl)methyl]-4-sulfanylidenephthalazin-1-yl]acetic acid Traditional Name: 2-[3-(4-bromo-3-chloro-benzyl)-4-thioxo-phthalazin-1-yl]acetic acid Formula: C17H12BrClN2O2S MolecularWeight: 423.71138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=S)CC3=CC(=C(C=C3)Br)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=S)CC3=CC(=C(C=C3)Br)Cl)CC(=O)O

InChI

InChI=1S/C17H12BrClN2O2S/c18-13-6-5-10(7-14(13)19)9-21-17(24)12-4-2-1-3-11(12)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)