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

Systemtic Name: 2-[[4-(3-bromophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-bromophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-bromophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-bromophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-bromophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13BrN3O2S- MolecularWeight: 355.23022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)[O-]

InChI

InChI=1S/C13H14BrN3O2S/c1-2-4-11-15-16-13(20-8-12(18)19)17(11)10-6-3-5-9(14)7-10/h3,5-7H,2,4,8H2,1H3,(H,18,19)/p-1