3-(bromomethyl)-4-oxidanidyl-2-phenylsulfanyl-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide

Systemtic Name: 3-(bromomethyl)-4-oxidanidyl-2-phenylsulfanyl-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide Openeye Name: 3-(bromomethyl)-4-oxido-2-phenylsulfanyl-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide CAS Name: 3-(bromomethyl)-4-oxido-2-(phenylthio)-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide IUPAC Name: 3-(bromomethyl)-4-oxido-2-phenylsulfanyl-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide Traditional Name: 3-(bromomethyl)-4-oxido-2-(phenylthio)-7-(trifluoromethyl)quinoxalin-1-ium 1-oxide Formula: C16H10BrF3N2O2S MolecularWeight: 431.22701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])CBr

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])CBr

InChI

InChI=1S/C16H10BrF3N2O2S/c17-9-14-15(25-11-4-2-1-3-5-11)22(24)13-8-10(16(18,19)20)6-7-12(13)21(14)23/h1-8H,9H2