1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]tetrazole CAS Name: 1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]tetrazole IUPAC Name: 1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]tetrazole Traditional Name: 1-tert-butyl-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]tetrazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)18-13(15-16-17-18)21-9-10-8-19-11-6-4-5-7-12(11)20-10/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1