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

Systemtic Name: 4-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-phenyl]benzoic acid Openeye Name: 4-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-phenyl]benzoic acid CAS Name: 4-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylphenyl]benzoic acid IUPAC Name: 4-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylphenyl]benzoic acid Traditional Name: 4-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-phenyl]benzoic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(N2C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(N2C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O2/c1-11-10-15(17-20-19-12(2)21(17)3)8-9-16(11)13-4-6-14(7-5-13)18(22)23/h4-10H,1-3H3,(H,22,23)