ethyl 5-azanyl-3-(4-bromophenyl)-4-oxidanylidene-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(4-bromophenyl)-4-oxidanylidene-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylate Openeye Name: ethyl 5-amino-3-(4-bromophenyl)-4-oxo-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylate CAS Name: 5-amino-3-(4-bromophenyl)-4-oxo-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(4-bromophenyl)-4-oxo-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylate Traditional Name: 5-amino-3-(4-bromophenyl)-4-keto-1H-thieno[3,4-d]pyridazin-3-ium-1-carboxylic acid ethyl ester Formula: C15H13BrN3O3S+ MolecularWeight: 395.25102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CSC(=C2C(=O)[N+](=N1)C3=CC=C(C=C3)Br)N

Isomeric SMILES

CCOC(=O)C1C2=CSC(=C2C(=O)[N+](=N1)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C15H12BrN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-8(16)4-6-9/h3-7,12H,2H2,1H3,(H-,17,20)/p+1