2-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H20ClN3O2/c1-2-3-8-18-22-20(21)24(23-18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19(25)26/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,26)