N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methyl-benzamide

Systemtic Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methyl-benzamide Openeye Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methyl-benzamide CAS Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide IUPAC Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methylbenzamide Traditional Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-methyl-benzamide Formula: C16H13BrN4O MolecularWeight: 357.20462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O/c1-10-5-7-11(8-6-10)15(22)19-16-18-14(20-21-16)12-3-2-4-13(17)9-12/h2-9H,1H3,(H2,18,19,20,21,22)