1-[5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazol-3-yl]ethanone

Systemtic Name: 1-[5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazol-3-yl]ethanone Openeye Name: 1-[5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazol-3-yl]ethanone CAS Name: 1-[5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-3-pyrazolyl]ethanone IUPAC Name: 1-[5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]ethanone Traditional Name: 1-[5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazol-3-yl]ethanone Formula: C13H10BrClF3N3O2S MolecularWeight: 444.65461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C1S(=O)C)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)C1=NN(C(=C1S(=O)C)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl

InChI

InChI=1S/C13H10BrClF3N3O2S/c1-5(22)9-11(24(2)23)12(19)21(20-9)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,19H2,1-2H3