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

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H12BrN3O2S MolecularWeight: 342.21158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3O2S/c1-16-11(8-3-5-9(13)6-4-8)14-15-12(16)19-7-10(17)18-2/h3-6H,7H2,1-2H3