1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3CC3

InChI

InChI=1S/C16H19N3O2/c1-2-3-4-11-5-9-13(10-6-11)19-15(12-7-8-12)17-14(18-19)16(20)21/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,21)