ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-2-25-18(24)13-27-19-22-21-17(23(19)15-6-4-3-5-7-15)12-26-16-10-8-14(20)9-11-16/h3-11H,2,12-13H2,1H3