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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C5=CC=CS5

InChI

InChI=1S/C20H20BrN3O3S2/c21-15-10-17-16(26-6-7-27-17)9-13(15)12-29-20-23-22-19(18-4-2-8-28-18)24(20)11-14-3-1-5-25-14/h2,4,8-10,14H,1,3,5-7,11-12H2