1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(1-isopropyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-[(1-isopropyltetrazol-5-yl)thio]ethanone Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H26N6O3S/c1-14(2)25-19(20-21-22-25)29-13-18(26)24-7-5-23(6-8-24)12-15-3-4-16-17(11-15)28-10-9-27-16/h3-4,11,14H,5-10,12-13H2,1-2H3