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

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N,N-diphenyl-acetamide Formula: C21H16BrN5OS MolecularWeight: 466.35364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN5OS/c22-16-11-13-19(14-12-16)27-21(23-24-25-27)29-15-20(28)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2