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

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3OS/c1-21-16(11-22-15-9-7-14(18)8-10-15)19-20-17(21)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3