4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(4-bromophenyl)-2-(2,4,6-trimethylbenzyl)-1,2,4-triazol-3-one Formula: C18H18BrN3O MolecularWeight: 372.25902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C(=O)N(C=N2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C(=O)N(C=N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN3O/c1-12-8-13(2)17(14(3)9-12)10-22-18(23)21(11-20-22)16-6-4-15(19)5-7-16/h4-9,11H,10H2,1-3H3