N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-benzyl-6-keto-pyridazine-3-carboxamide Formula: C23H18FN5O3S MolecularWeight: 463.484123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C23H18FN5O3S/c1-14(30)25-16-7-8-17(18(24)11-16)20-13-33-23(26-20)27-22(32)19-9-10-21(31)29(28-19)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,25,30)(H,26,27,32)