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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(3-bromophenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(3-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(=CC=C5)Br

Isomeric SMILES

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

InChI

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