4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Openeye Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one CAS Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one IUPAC Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Traditional Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O2/c1-14-8-7-9-15(2)18(14)22-16(3)20-21(19(22)23)12-13-24-17-10-5-4-6-11-17/h4-11H,12-13H2,1-3H3