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

Systemtic Name: 2-(2-bromanylphenoxy)-1-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]ethanone Openeye Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]ethanone CAS Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]ethanone IUPAC Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]ethanone Traditional Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]ethanone Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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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=C3Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)COC3=CC=CC=C3Br)C

InChI

InChI=1S/C20H19BrN2O2S/c1-13-8-10-16(11-9-13)26-20-14(2)22-23(15(20)3)19(24)12-25-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3