2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-phenethyl-2-[(1-piperonyltetrazol-5-yl)thio]acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=N3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=N3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O3S/c25-18(20-9-8-14-4-2-1-3-5-14)12-28-19-21-22-23-24(19)11-15-6-7-16-17(10-15)27-13-26-16/h1-7,10H,8-9,11-13H2,(H,20,25)