5-bromanyl-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid Formula: C13H13Br2N3O2 MolecularWeight: 403.06922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CBr

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CBr

InChI

InChI=1S/C13H13Br2N3O2/c1-2-3-11-16-17-12(7-14)18(11)10-5-4-8(15)6-9(10)13(19)20/h4-6H,2-3,7H2,1H3,(H,19,20)