3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=C(C=C5)Br

InChI

InChI=1S/C23H18BrN3O3S/c24-17-7-9-19(10-8-17)28-12-13-31-23-26-25-22(27(23)18-4-2-1-3-5-18)16-6-11-20-21(14-16)30-15-29-20/h1-11,14H,12-13,15H2