1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole

Systemtic Name: 1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole Openeye Name: 1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole CAS Name: 1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole IUPAC Name: 1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole Traditional Name: 1-methyl-4-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]benzotriazole Formula: C17H13F3N6O MolecularWeight: 374.31993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)CN4C=NC=N4)N=N1

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)CN4C=NC=N4)N=N1

InChI

InChI=1S/C17H13F3N6O/c1-25-13-3-2-4-15(16(13)23-24-25)27-14-6-5-12(17(18,19)20)7-11(14)8-26-10-21-9-22-26/h2-7,9-10H,8H2,1H3