1-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-2-phenoxyethanone IUPAC Name: 1-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]-2-phenoxy-ethanone Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)COC3=CC=CC=C3)C

InChI

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