3-[2-(4-fluorophenyl)sulfanylethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(4-fluorophenyl)thio]ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(4-fluorophenyl)thio]ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H12FN2O3S- MolecularWeight: 343.352183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H13FN2O3S/c18-11-5-7-12(8-6-11)24-10-9-20-16(21)14-4-2-1-3-13(14)15(19-20)17(22)23/h1-8H,9-10H2,(H,22,23)/p-1