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

Systemtic Name: 3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-methyl-propanamide CAS Name: 3-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-methylpropanamide IUPAC Name: 3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide Traditional Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-methyl-propionamide Formula: C11H12BrN5OS MolecularWeight: 342.21488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrN5OS/c1-13-10(18)6-7-19-11-14-15-16-17(11)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,18)