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

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrN3O3S/c1-5-22-14(21)16(2,3)24-15-19-18-13(20(15)4)10-23-12-8-6-11(17)7-9-12/h6-9H,5,10H2,1-4H3