2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylthio)-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylthio)-5-(3-phenyl-1,2,4-triaza-3-boranuidacyclopenta-3,5-dien-5-yl)-1H-pyrazol-2-ium-3-yl]amine Formula: C18H14BCl2F3N6S MolecularWeight: 485.12117

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(=NC(=NN1)C2=C(C(=[N+](N2)C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)N)SC)C4=CC=CC=C4

Isomeric SMILES

[B-]1(=NC(=NN1)C2=C(C(=[N+](N2)C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)N)SC)C4=CC=CC=C4

InChI

InChI=1S/C18H13BCl2F3N6S/c1-31-15-13(17-26-19(29-27-17)10-5-3-2-4-6-10)28-30(16(15)25)14-11(20)7-9(8-12(14)21)18(22,23)24/h2-8H,1H3,(H3,25,26,27,28,29)/q-1/p+1