3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(methylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(methylthio)-1,2,4-triazole Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC=C)C2COC3=CC=CC=C3O2

Isomeric SMILES

CSC1=NN=C(N1CC=C)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C14H15N3O2S/c1-3-8-17-13(15-16-14(17)20-2)12-9-18-10-6-4-5-7-11(10)19-12/h3-7,12H,1,8-9H2,2H3