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

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]thio]-N-methylacetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide Traditional Name: N-methyl-2-[(1-piperonyltetrazol-5-yl)thio]acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=NN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)CSC1=NN=NN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H13N5O3S/c1-13-11(18)6-21-12-14-15-16-17(12)5-8-2-3-9-10(4-8)20-7-19-9/h2-4H,5-7H2,1H3,(H,13,18)