5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 5-(chloromethyl)-2,3-diphenyl-1H-1,2,4-triazole-5-carboxylic acid Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(NN2C3=CC=CC=C3)(CCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(NN2C3=CC=CC=C3)(CCl)C(=O)O

InChI

InChI=1S/C16H14ClN3O2/c17-11-16(15(21)22)18-14(12-7-3-1-4-8-12)20(19-16)13-9-5-2-6-10-13/h1-10,19H,11H2,(H,21,22)