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

Systemtic Name: 3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]benzoic acid Openeye Name: 3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]benzoic acid CAS Name: 3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]benzoic acid IUPAC Name: 3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]benzoic acid Traditional Name: 3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H13N3O2/c1-11-8-13(16(20)21)4-7-15(11)12-2-5-14(6-3-12)19-10-17-9-18-19/h2-10H,1H3,(H,20,21)