5-(2-methylpropanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: 5-(2-methylpropanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: 5-(2-methylpropanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-methyl-1-oxopropyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylate IUPAC Name: 5-(2-methylpropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(isobutyrylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-9(2)14(21)18-15-12-11(8-25-15)13(17(23)24)19-20(16(12)22)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,21)(H,23,24)/p-1