methyl 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoate

Systemtic Name: methyl 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoate Openeye Name: methyl 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoate CAS Name: 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoate Traditional Name: 4-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid methyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2/c1-20-16(13-6-4-3-5-7-13)18-15(19-20)12-8-10-14(11-9-12)17(21)22-2/h3-11H,1-2H3