1-(4-chloranyl-2-methyl-phenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-chloro-2-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-chloro-2-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-chloro-2-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-chloro-2-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2/c1-7(2)12-15-11(13(18)19)16-17(12)10-5-4-9(14)6-8(10)3/h4-7H,1-3H3,(H,18,19)