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

Systemtic Name: 2-(2-bromanylphenoxy)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone Openeye Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone CAS Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]ethanone IUPAC Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]ethanone Traditional Name: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-[(2-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=CC=C2Br)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2Br)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

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