4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid

Systemtic Name: 4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid Openeye Name: 4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid CAS Name: 4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid IUPAC Name: 4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid Traditional Name: 4-(5-butyl-1H-1,2,4-triazol-3-yl)benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC(=NN1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-2-3-4-11-14-12(16-15-11)9-5-7-10(8-6-9)13(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H,14,15,16)