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

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-N-phenyl-acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]-N-phenylacetamide IUPAC Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-N-phenylacetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]-N-phenyl-acetamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCC2=NN=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCC2=NN=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN5OS/c17-12-6-8-14(9-7-12)22-15(19-20-21-22)10-24-11-16(23)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,23)