phenyl 1-(3,5-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: phenyl 1-(3,5-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: phenyl 1-(3,5-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(3,5-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(3,5-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid phenyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)OC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)OC3=CC=CC=C3)C)C

InChI

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