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

Systemtic Name: 5-cyclopropyl-1-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-1-(m-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-cyclopropyl-1-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-cyclopropyl-1-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-1-(m-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)O)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)O)C3CC3

InChI

InChI=1S/C13H13N3O2/c1-8-3-2-4-10(7-8)16-12(9-5-6-9)14-11(15-16)13(17)18/h2-4,7,9H,5-6H2,1H3,(H,17,18)