3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methyl-benzoic acid Openeye Name: 3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methyl-benzoic acid CAS Name: 3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methylbenzoic acid IUPAC Name: 3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methylbenzoic acid Traditional Name: 3-[3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-yl]-4-methyl-benzoic acid Formula: C22H15Cl2N3O2 MolecularWeight: 424.2794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=NN=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=NN=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2/c1-13-2-3-16(22(28)29)12-19(13)27-20(14-4-8-17(23)9-5-14)25-26-21(27)15-6-10-18(24)11-7-15/h2-12H,1H3,(H,28,29)