2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1-piperonyltetrazol-5-yl)thio]-1-pyrrolidino-ethanone Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=NN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=NN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N5O3S/c21-14(19-5-1-2-6-19)9-24-15-16-17-18-20(15)8-11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,1-2,5-6,8-10H2