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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-(p-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(p-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C17H14ClN3O2 MolecularWeight: 327.76496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC(=C(C=C3)C)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC(=C(C=C3)C)Cl)C(=O)O

InChI

InChI=1S/C17H14ClN3O2/c1-10-3-6-12(7-4-10)16-19-15(17(22)23)20-21(16)13-8-5-11(2)14(18)9-13/h3-9H,1-2H3,(H,22,23)