6-(4-chlorophenyl)-4-fluoranyl-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium

Systemtic Name: 6-(4-chlorophenyl)-4-fluoranyl-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Openeye Name: 6-(4-chlorophenyl)-4-fluoro-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium CAS Name: 6-(4-chlorophenyl)-4-fluoro-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium IUPAC Name: 6-(4-chlorophenyl)-4-fluoro-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Traditional Name: 6-(4-chlorophenyl)-4-fluoro-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Formula: C16H13ClFN6+ MolecularWeight: 343.766023

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)F)N=N1)CN4C=NC=N4

Isomeric SMILES

C[N+]1(C2=C(C(=CC(=C2)C3=CC=C(C=C3)Cl)F)N=N1)CN4C=NC=N4

InChI

InChI=1S/C16H13ClFN6/c1-24(10-23-9-19-8-20-23)15-7-12(6-14(18)16(15)21-22-24)11-2-4-13(17)5-3-11/h2-9H,10H2,1H3/q+1