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

Systemtic Name: 3-[(2-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(2-bromophenyl)methylthio]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-bromophenyl)methylsulfanylmethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(2-bromobenzyl)thio]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CSCC4=CC=CC=C4Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CSCC4=CC=CC=C4Br

InChI

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