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

Systemtic Name: 4-oxidanylidene-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]phthalazine-1-carboxylate Formula: C18H12F3N2O3S- MolecularWeight: 393.35969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N2O3S/c19-18(20,21)11-4-3-5-12(10-11)27-9-8-23-16(24)14-7-2-1-6-13(14)15(22-23)17(25)26/h1-7,10H,8-9H2,(H,25,26)/p-1