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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=CN3CCC4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=CN3CCC4=CC=CS4

InChI

InChI=1S/C17H16BrN3O2S2/c18-14-9-16-15(22-5-6-23-16)8-12(14)10-25-17-20-19-11-21(17)4-3-13-2-1-7-24-13/h1-2,7-9,11H,3-6,10H2