3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2,3-dihydro-1,4-benzodioxin-6-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)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

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