2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(1-adamantyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-3-one Formula: C13H16F3N3O MolecularWeight: 287.28085

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)N=C(N4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)N=C(N4)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O/c14-13(15,16)10-17-11(20)19(18-10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,17,18,20)