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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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