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

Systemtic Name: 3-bromanyl-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide Openeye Name: 3-bromo-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: 3-bromo-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide IUPAC Name: 3-bromo-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide Traditional Name: 3-bromo-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O2/c1-23-13-7-5-10(6-8-13)14-18-16(21-20-14)19-15(22)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19,20,21,22)