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

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-4-27-19(26)21(2,3)29-20-24-23-18(25(20)16-8-6-5-7-9-16)14-28-17-12-10-15(22)11-13-17/h5-13H,4,14H2,1-3H3