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

Systemtic Name: 2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]-5-chloranyl-benzoic acid Openeye Name: 2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]-5-chloro-benzoic acid CAS Name: 2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]-5-chlorobenzoic acid IUPAC Name: 2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]-5-chlorobenzoic acid Traditional Name: 2-[3-(bromomethyl)-5-propyl-1,2,4-triazol-4-yl]-5-chloro-benzoic acid Formula: C13H13BrClN3O2 MolecularWeight: 358.61822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrClN3O2/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)