5-[(4-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(4-bromophenyl)methylthio]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4-bromobenzyl)thio]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Formula: C18H15BrN3O2S2- MolecularWeight: 449.3646

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])CSCC4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])CSCC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H16BrN3O2S2/c19-13-3-1-12(2-4-13)10-26-11-17-20-21-18(25)22(17)14-5-6-15-16(9-14)24-8-7-23-15/h1-6,9H,7-8,10-11H2,(H,21,25)/p-1