[2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] 4-methylbenzoate

Systemtic Name: [2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] 4-methylbenzoate Openeye Name: [2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] ester IUPAC Name: [2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(4-phenyl-1,2,4-triazol-3-yl)phenyl] ester Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2/c1-16-11-13-17(14-12-16)22(26)27-20-10-6-5-9-19(20)21-24-23-15-25(21)18-7-3-2-4-8-18/h2-15H,1H3