2-[4-(4-bromanylphenoxy)-2-chloranyl-phenyl]-1-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 2-[4-(4-bromanylphenoxy)-2-chloranyl-phenyl]-1-(1,2,4-triazol-1-yl)ethanone Openeye Name: 2-[4-(4-bromophenoxy)-2-chloro-phenyl]-1-(1,2,4-triazol-1-yl)ethanone CAS Name: 2-[4-(4-bromophenoxy)-2-chlorophenyl]-1-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 2-[4-(4-bromophenoxy)-2-chlorophenyl]-1-(1,2,4-triazol-1-yl)ethanone Traditional Name: 2-[4-(4-bromophenoxy)-2-chloro-phenyl]-1-(1,2,4-triazol-1-yl)ethanone Formula: C16H11BrClN3O2 MolecularWeight: 392.63444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=C(C=C2)CC(=O)N3C=NC=N3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=C(C=C2)CC(=O)N3C=NC=N3)Cl)Br

InChI

InChI=1S/C16H11BrClN3O2/c17-12-2-5-13(6-3-12)23-14-4-1-11(15(18)8-14)7-16(22)21-10-19-9-20-21/h1-6,8-10H,7H2