ethyl 5-benzamido-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-benzamido-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-benzamido-3-(4-chlorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-benzamido-3-(4-chlorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamido-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-benzamido-3-(4-chlorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S/c1-2-30-22(29)18-16-12-31-20(24-19(27)13-6-4-3-5-7-13)17(16)21(28)26(25-18)15-10-8-14(23)9-11-15/h3-12H,2H2,1H3,(H,24,27)