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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-bromophenoxy)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCOC4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCOC4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C24H20BrN3O3S/c25-19-7-9-20(10-8-19)29-12-13-32-24-27-26-23(18-4-2-1-3-5-18)28(24)15-17-6-11-21-22(14-17)31-16-30-21/h1-11,14H,12-13,15-16H2