5-azanyl-7-bromanyl-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid

Systemtic Name: 5-azanyl-7-bromanyl-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid Openeye Name: 5-amino-7-bromo-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid CAS Name: 5-amino-7-bromo-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid IUPAC Name: 5-amino-7-bromo-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylic acid Traditional Name: 5-amino-7-bromo-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid Formula: C13H8BrN3O3S MolecularWeight: 366.18992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(SC(=C3C(=N2)C(=O)O)Br)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(SC(=C3C(=N2)C(=O)O)Br)N

InChI

InChI=1S/C13H8BrN3O3S/c14-10-7-8(11(15)21-10)12(18)17(16-9(7)13(19)20)6-4-2-1-3-5-6/h1-5H,15H2,(H,19,20)