3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole

Systemtic Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4,5-dimethyl-1,2,4-triazole Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=NN=C(N1C)SC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C13H15N3O2S/c1-9-14-15-13(16(9)2)19-8-10-7-17-11-5-3-4-6-12(11)18-10/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1