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

Systemtic Name: 5-azanyl-3-[[3,5-bis(trifluoromethyl)phenyl]amino]-1-phenyl-1,2,4-triazin-6-one Openeye Name: 5-amino-3-[3,5-bis(trifluoromethyl)anilino]-1-phenyl-1,2,4-triazin-6-one CAS Name: 5-amino-3-[3,5-bis(trifluoromethyl)anilino]-1-phenyl-1,2,4-triazin-6-one IUPAC Name: 5-amino-3-[3,5-bis(trifluoromethyl)anilino]-1-phenyl-1,2,4-triazin-6-one Traditional Name: 5-amino-3-[3,5-bis(trifluoromethyl)anilino]-1-phenyl-1,2,4-triazin-6-one Formula: C17H11F6N5O MolecularWeight: 415.292559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=NC(=N2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=NC(=N2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C17H11F6N5O/c18-16(19,20)9-6-10(17(21,22)23)8-11(7-9)25-15-26-13(24)14(29)28(27-15)12-4-2-1-3-5-12/h1-8H,(H3,24,25,26,27)