[4-[5-(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-azanium

Systemtic Name: [4-[5-(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-azanium Openeye Name: [4-[5-(4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-ammonium CAS Name: [4-[5-(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfoammonium IUPAC Name: [4-[5-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfoazanium Traditional Name: [4-[5-(4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-ammonium Formula: C16H19BrN5O4S+ MolecularWeight: 457.32216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)C3=CC=C(C=C3)[N+](C)(C)S(=O)(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)C3=CC=C(C=C3)[N+](C)(C)S(=O)(=O)O

InChI

InChI=1S/C16H18BrN5O4S/c1-5-21-14(13(17)10(2)19-21)16-18-15(20-26-16)11-6-8-12(9-7-11)22(3,4)27(23,24)25/h6-9H,5H2,1-4H3/p+1