1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-methylphenoxy)ethanone Openeye Name: 1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-methylphenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-2-(4-methylphenoxy)ethanone Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O2S/c1-14-9-11-17(12-10-14)24-13-19(23)22-16(3)20(15(2)21-22)25-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3