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

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C18H15FN2O3S MolecularWeight: 358.386703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCSC3=CC=CC=C3F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCSC3=CC=CC=C3F

InChI

InChI=1S/C18H15FN2O3S/c1-21-17(22)13-7-3-2-6-12(13)16(20-21)18(23)24-10-11-25-15-9-5-4-8-14(15)19/h2-9H,10-11H2,1H3