5-azanyl-3-(3-iodanylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylic acid

Systemtic Name: 5-azanyl-3-(3-iodanylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylic acid Openeye Name: 5-amino-3-(3-iodophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylic acid CAS Name: 5-amino-3-(3-iodophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid IUPAC Name: 5-amino-3-(3-iodophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylic acid Traditional Name: 5-amino-3-(3-iodophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid Formula: C13H8IN3O3S MolecularWeight: 413.19039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8IN3O3S/c14-6-2-1-3-7(4-6)17-12(18)9-8(5-21-11(9)15)10(16-17)13(19)20/h1-5H,15H2,(H,19,20)