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

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[anilino(oxo)methyl]amino]-3-(4-chlorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-keto-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O4S/c1-2-31-21(29)18-16-12-32-19(25-22(30)24-14-6-4-3-5-7-14)17(16)20(28)27(26-18)15-10-8-13(23)9-11-15/h3-12H,2H2,1H3,(H2,24,25,30)