5-azanyl-1-cyano-3-(2-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-7-carboxylic acid

Systemtic Name: 5-azanyl-1-cyano-3-(2-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-7-carboxylic acid Openeye Name: 5-amino-1-cyano-3-(2-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-7-carboxylic acid CAS Name: 5-amino-1-cyano-3-(2-methoxyphenyl)-4-oxo-7-thieno[3,4-d]pyridazinecarboxylic acid IUPAC Name: 5-amino-1-cyano-3-(2-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-7-carboxylic acid Traditional Name: 5-amino-1-cyano-4-keto-3-(2-methoxyphenyl)thieno[3,4-d]pyridazine-7-carboxylic acid Formula: C15H10N4O4S MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(SC(=C3C(=N2)C#N)C(=O)O)N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(SC(=C3C(=N2)C#N)C(=O)O)N

InChI

InChI=1S/C15H10N4O4S/c1-23-9-5-3-2-4-8(9)19-14(20)11-10(7(6-16)18-19)12(15(21)22)24-13(11)17/h2-5H,17H2,1H3,(H,21,22)