ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-benzylsulfanylacetyl)amino]-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzylsulfanylacetyl)amino]-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[[2-(benzylthio)acetyl]amino]-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H20FN3O4S2 MolecularWeight: 497.561703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CSCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CSCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O4S2/c1-2-32-24(31)21-18-13-34-22(26-19(29)14-33-12-15-6-4-3-5-7-15)20(18)23(30)28(27-21)17-10-8-16(25)9-11-17/h3-11,13H,2,12,14H2,1H3,(H,26,29)