4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-(p-tolylmethyl)-1,2,4-triazol-3-one CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-methyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-(4-methylbenzyl)-1,2,4-triazol-3-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN(C(=O)N2N3C(=CC=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN(C(=O)N2N3C(=CC=C3C)C)C

InChI

InChI=1S/C17H20N4O/c1-12-5-9-15(10-6-12)11-16-18-19(4)17(22)21(16)20-13(2)7-8-14(20)3/h5-10H,11H2,1-4H3