2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H13BrN6O MolecularWeight: 349.18592

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCC#N)C(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN6O/c1-19(8-2-7-15)12(21)9-20-17-13(16-18-20)10-3-5-11(14)6-4-10/h3-6H,2,8-9H2,1H3