6-azanyl-5-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one

Systemtic Name: 6-azanyl-5-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one Openeye Name: 6-amino-5-[3,5-bis(trifluoromethyl)anilino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one CAS Name: 6-amino-5-[3,5-bis(trifluoromethyl)anilino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one IUPAC Name: 6-amino-5-[3,5-bis(trifluoromethyl)anilino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one Traditional Name: 6-amino-5-[3,5-bis(trifluoromethyl)anilino]-4-phenyl-6H-1,2,4-triazin-4-ium-3-one Formula: C17H12F6N5O+ MolecularWeight: 416.300499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(C(N=NC2=O)N)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(C(N=NC2=O)N)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H11F6N5O/c18-16(19,20)9-6-10(17(21,22)23)8-11(7-9)25-14-13(24)26-27-15(29)28(14)12-4-2-1-3-5-12/h1-8,13H,24H2/p+1