3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[2-(4-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3OS/c1-22-17(13-14-5-3-2-4-6-14)20-21-18(22)24-12-11-23-16-9-7-15(19)8-10-16/h2-10H,11-13H2,1H3