3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-furylmethyl)-5-isopropyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-furfuryl)-5-isopropyl-1,2,4-triazole Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H20BrN3O3S/c1-12(2)18-21-22-19(23(18)10-14-4-3-5-24-14)27-11-13-8-16-17(9-15(13)20)26-7-6-25-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3