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

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[(1-piperonyltetrazol-5-yl)thio]ethanone Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=NN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=NN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N5O3S/c22-15(20-6-2-1-3-7-20)10-25-16-17-18-19-21(16)9-12-4-5-13-14(8-12)24-11-23-13/h4-5,8H,1-3,6-7,9-11H2