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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3S/c1-2-12-24-20(19-15-26-17-10-6-7-11-18(17)27-19)22-23-21(24)28-14-13-25-16-8-4-3-5-9-16/h2-11,19H,1,12-15H2