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

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H10BrN3O2S MolecularWeight: 328.185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H10BrN3O2S/c1-17-9(16)6-18-11-13-10(14-15-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)