ethyl 4-butylsulfanyl-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-butylsulfanyl-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-butylsulfanyl-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-(butylthio)-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(butylthio)-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-3-5-11-23-14-12-15(20)19(13-9-7-6-8-10-13)18-16(14)17(21)22-4-2/h6-10,12H,3-5,11H2,1-2H3