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

Systemtic Name: 3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,2,4-triazole Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H17N3O2S/c1-21-17(16-11-22-14-9-5-6-10-15(14)23-16)19-20-18(21)24-12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3/t16-/m0/s1