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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H14BrN3O2S2 MolecularWeight: 424.33526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CS4

InChI

InChI=1S/C16H14BrN3O2S2/c1-20-15(14-3-2-6-23-14)18-19-16(20)24-9-10-7-12-13(8-11(10)17)22-5-4-21-12/h2-3,6-8H,4-5,9H2,1H3