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

Systemtic Name: 2-(2-bromanylphenoxy)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)ethanone Openeye Name: 2-(2-bromophenoxy)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)ethanone CAS Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]ethanone IUPAC Name: 2-(2-bromophenoxy)-1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)ethanone Traditional Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]ethanone Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2Br)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2Br)C)SC3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O2S/c1-13-19(25-15-8-4-3-5-9-15)14(2)22(21-13)18(23)12-24-17-11-7-6-10-16(17)20/h3-11H,12H2,1-2H3