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

Systemtic Name: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C17H13BrN6O MolecularWeight: 397.22872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN6O/c18-14-8-6-13(7-9-14)17-20-22-24(21-17)12-16(25)23(11-10-19)15-4-2-1-3-5-15/h1-9H,11-12H2