2-[[4-[[3-(4-methylsulfanylphenyl)-6-oxidanylidene-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid

Systemtic Name: 2-[[4-[[3-(4-methylsulfanylphenyl)-6-oxidanylidene-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid Openeye Name: 2-[[4-[[3-(4-methylsulfanylphenyl)-6-oxo-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid CAS Name: 2-[[4-[[3-[4-(methylthio)phenyl]-6-oxo-4-phenyl-1-pyridazinyl]methyl]cyclohexyl]methoxy]acetic acid IUPAC Name: 2-[[4-[[3-(4-methylsulfanylphenyl)-6-oxo-4-phenylpyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Traditional Name: 2-[[4-[[6-keto-3-[4-(methylthio)phenyl]-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

InChI

InChI=1S/C27H30N2O4S/c1-34-23-13-11-22(12-14-23)27-24(21-5-3-2-4-6-21)15-25(30)29(28-27)16-19-7-9-20(10-8-19)17-33-18-26(31)32/h2-6,11-15,19-20H,7-10,16-18H2,1H3,(H,31,32)