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

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]-N-phenethyl-acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3S/c24-17(19-9-8-13-4-2-1-3-5-13)11-27-18-20-21-22-23(18)14-6-7-15-16(10-14)26-12-25-15/h1-7,10H,8-9,11-12H2,(H,19,24)