ethyl 5-azanyl-4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-amino-4-oxo-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-4-oxo-3-[3-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-oxo-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-4-keto-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-4-8(6-9)16(17,18)19/h3-7H,2,20H2,1H3