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

Systemtic Name: 4-oxidanylidene-3-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Openeye Name: 4-oxo-3-[(3-phenyl-2-thioxo-propanoyl)amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid CAS Name: 4-oxo-3-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid IUPAC Name: 4-oxo-3-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Traditional Name: 4-keto-3-[(3-phenyl-2-thioxo-propanoyl)amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=O)C(CCN2C1)NC(=O)C(=S)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N2C(=O)C(CCN2C1)NC(=O)C(=S)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c22-16(15(26)11-12-5-2-1-3-6-12)19-13-8-10-20-9-4-7-14(18(24)25)21(20)17(13)23/h1-3,5-6,13-14H,4,7-11H2,(H,19,22)(H,24,25)