2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[1-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[1-(3-acetamidophenyl)tetrazol-5-yl]thio]-N-propargyl-acetamide Formula: C14H14N6O2S MolecularWeight: 330.36496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NCC#C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NCC#C

InChI

InChI=1S/C14H14N6O2S/c1-3-7-15-13(22)9-23-14-17-18-19-20(14)12-6-4-5-11(8-12)16-10(2)21/h1,4-6,8H,7,9H2,2H3,(H,15,22)(H,16,21)