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

Systemtic Name: methyl 4-butylsulfanyl-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: methyl 4-butylsulfanyl-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-(butylthio)-6-oxo-1-phenyl-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 4-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(butylthio)-6-keto-1-phenyl-pyridazine-3-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-3-4-10-22-13-11-14(19)18(12-8-6-5-7-9-12)17-15(13)16(20)21-2/h5-9,11H,3-4,10H2,1-2H3