1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylethanone Traditional Name: 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]-1-(4-piperonylpiperazino)ethanone Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N6O3S/c1-16-4-3-5-17(2)22(16)29-23(24-25-26-29)33-14-21(30)28-10-8-27(9-11-28)13-18-6-7-19-20(12-18)32-15-31-19/h3-7,12H,8-11,13-15H2,1-2H3