2-[(4-chlorophenyl)methyl]-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one Traditional Name: 2-(4-chlorobenzyl)-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one Formula: C16H13ClFN3O MolecularWeight: 317.745323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClFN3O/c1-11-19-20(10-12-5-7-13(17)8-6-12)16(22)21(11)15-4-2-3-14(18)9-15/h2-9H,10H2,1H3