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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazole Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18BrN3O2S/c1-2-11-24-19(18-12-25-16-5-3-4-6-17(16)26-18)22-23-20(24)27-13-14-7-9-15(21)10-8-14/h2-10,18H,1,11-13H2