2-(5-bromanyl-3,6-dimethyl-pyridin-2-yl)-5-methyl-4-prop-2-enyl-1,2,4-triazol-3-one

Systemtic Name: 2-(5-bromanyl-3,6-dimethyl-pyridin-2-yl)-5-methyl-4-prop-2-enyl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-(5-bromo-3,6-dimethyl-2-pyridyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-methyl-4-prop-2-enyl-1,2,4-triazol-3-one IUPAC Name: 2-(5-bromo-3,6-dimethylpyridin-2-yl)-5-methyl-4-prop-2-enyl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-(5-bromo-3,6-dimethyl-2-pyridyl)-5-methyl-1,2,4-triazol-3-one Formula: C13H15BrN4O MolecularWeight: 323.1884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1N2C(=O)N(C(=N2)C)CC=C)C)Br

Isomeric SMILES

CC1=CC(=C(N=C1N2C(=O)N(C(=N2)C)CC=C)C)Br

InChI

InChI=1S/C13H15BrN4O/c1-5-6-17-10(4)16-18(13(17)19)12-8(2)7-11(14)9(3)15-12/h5,7H,1,6H2,2-4H3