tert-butyl 1-(3-chlorophenyl)-5-(2-fluorophenyl)sulfanyl-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: tert-butyl 1-(3-chlorophenyl)-5-(2-fluorophenyl)sulfanyl-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: tert-butyl 1-(3-chlorophenyl)-5-(2-fluorophenyl)sulfanyl-4-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-chlorophenyl)-5-[(2-fluorophenyl)thio]-4-methyl-6-oxo-3-pyridazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-chlorophenyl)-5-(2-fluorophenyl)sulfanyl-4-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-[(2-fluorophenyl)thio]-6-keto-4-methyl-pyridazine-3-carboxylic acid tert-butyl ester Formula: C22H20ClFN2O3S MolecularWeight: 446.922203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl)SC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl)SC3=CC=CC=C3F

InChI

InChI=1S/C22H20ClFN2O3S/c1-13-18(21(28)29-22(2,3)4)25-26(15-9-7-8-14(23)12-15)20(27)19(13)30-17-11-6-5-10-16(17)24/h5-12H,1-4H3