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

Systemtic Name: methyl 4-tert-butylsulfanyl-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: methyl 4-tert-butylsulfanyl-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-(tert-butylthio)-6-oxo-1-phenyl-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 4-tert-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(tert-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:

CC(C)(C)SC1=CC(=O)N(N=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SC1=CC(=O)N(N=C1C(=O)OC)C2=CC=CC=C2

InChI

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