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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-[(4-phenylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[oxo-(4-phenylphenyl)methyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C28H21N3O4S MolecularWeight: 495.54904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4S/c1-2-35-28(34)24-22-17-36-26(23(22)27(33)31(30-24)21-11-7-4-8-12-21)29-25(32)20-15-13-19(14-16-20)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,29,32)