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

Systemtic Name: ethyl 3-(4-methylphenyl)-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-methylbenzoyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-(p-toluoylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-4-31-24(30)20-18-13-32-22(25-21(28)16-9-5-14(2)6-10-16)19(18)23(29)27(26-20)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,25,28)