3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-tert-butyl-propanamide

Systemtic Name: 3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-tert-butyl-propanamide CAS Name: 3-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-tert-butylpropanamide IUPAC Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide Traditional Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-tert-butyl-propionamide Formula: C14H18BrN5OS MolecularWeight: 384.29462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN5OS/c1-14(2,3)16-12(21)8-9-22-13-17-18-19-20(13)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,21)