6,9-bis(oxidanylidene)-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid

Systemtic Name: 6,9-bis(oxidanylidene)-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Openeye Name: 6,9-dioxo-7-[(3-phenyl-2-thioxo-propanoyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid CAS Name: 6,9-dioxo-7-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid IUPAC Name: 6,9-dioxo-7-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Traditional Name: 6,9-diketo-7-[(3-phenyl-2-thioxo-propanoyl)amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(N2N1C(=O)CC(C2=O)NC(=O)C(=S)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CC(N2N1C(=O)CC(C2=O)NC(=O)C(=S)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O5S/c22-15-10-12(17(24)21-13(18(25)26)7-4-8-20(15)21)19-16(23)14(27)9-11-5-2-1-3-6-11/h1-7,12-13H,8-10H2,(H,19,23)(H,25,26)