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

Systemtic Name: N-tert-butyl-2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-tert-butyl-acetamide CAS Name: 2-[[1-(3-acetylphenyl)-5-tetrazolyl]thio]-N-tert-butylacetamide IUPAC Name: 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-tert-butylacetamide Traditional Name: 2-[[1-(3-acetylphenyl)tetrazol-5-yl]thio]-N-tert-butyl-acetamide Formula: C15H19N5O2S MolecularWeight: 333.40866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C15H19N5O2S/c1-10(21)11-6-5-7-12(8-11)20-14(17-18-19-20)23-9-13(22)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,22)