ethyl 5-azanyl-7-bromanyl-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-7-bromanyl-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-amino-7-bromo-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-7-bromo-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-bromo-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-7-bromo-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC(=C21)Br)N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC(=C21)Br)N)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H14BrN3O3S/c1-3-23-16(22)12-10-11(14(18)24-13(10)17)15(21)20(19-12)9-6-4-8(2)5-7-9/h4-7H,3,18H2,1-2H3