3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[2-(4-fluorophenyl)-4-thiazolyl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl]-4-keto-phthalazine-1-carboxylate Formula: C19H11FN3O3S- MolecularWeight: 380.372343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)C4=CC=C(C=C4)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)C4=CC=C(C=C4)F)C(=O)[O-]

InChI

InChI=1S/C19H12FN3O3S/c20-12-7-5-11(6-8-12)17-21-13(10-27-17)9-23-18(24)15-4-2-1-3-14(15)16(22-23)19(25)26/h1-8,10H,9H2,(H,25,26)/p-1