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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

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