3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-methyl-1,2,4-triazole Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2COC3=CC=CC=C3O2

Isomeric SMILES

CN1C=NN=C1SC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-9-6-16-10-4-2-3-5-11(10)17-9/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1