methyl 5-(4-acetamidophenyl)sulfanyl-1-(4-fluorophenyl)-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: methyl 5-(4-acetamidophenyl)sulfanyl-1-(4-fluorophenyl)-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: methyl 5-(4-acetamidophenyl)sulfanyl-1-(4-fluorophenyl)-4-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)thio]-1-(4-fluorophenyl)-4-methyl-6-oxo-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-acetamidophenyl)sulfanyl-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)thio]-1-(4-fluorophenyl)-6-keto-4-methyl-pyridazine-3-carboxylic acid methyl ester Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)OC)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)OC)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H18FN3O4S/c1-12-18(21(28)29-3)24-25(16-8-4-14(22)5-9-16)20(27)19(12)30-17-10-6-15(7-11-17)23-13(2)26/h4-11H,1-3H3,(H,23,26)