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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]ethanone Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)Br)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)Br)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O4S/c1-12-19(28-17-9-5-15(6-10-17)23(25)26)13(2)22(21-12)18(24)11-27-16-7-3-14(20)4-8-16/h3-10H,11H2,1-2H3