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

Systemtic Name: 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)ethanone Openeye Name: 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)ethanone CAS Name: 2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]ethanone IUPAC Name: 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)ethanone Traditional Name: 2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]ethanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-14-10-11-19(15(2)12-14)25-13-20(24)23-17(4)21(16(3)22-23)26-18-8-6-5-7-9-18/h5-12H,13H2,1-4H3