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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-2-24-18-21-20-17(13-23-16-10-8-15(19)9-11-16)22(18)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3