3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(4-bromophenoxy)ethylthio]-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H24BrN3O2S/c1-2-16-30-25(19-32-24-11-7-6-10-23(24)20-8-4-3-5-9-20)28-29-26(30)33-18-17-31-22-14-12-21(27)13-15-22/h2-15H,1,16-19H2