1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-[3-(chloromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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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/C16H12ClN3O2/c17-10-11-5-4-8-13(9-11)20-15(12-6-2-1-3-7-12)18-14(19-20)16(21)22/h1-9H,10H2,(H,21,22)