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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrN3O2S/c18-14-9-5-4-8-13(14)15-19-17(21-20-15)24-11-10-23-16(22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21)