2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)hept-5-en-3-one

Systemtic Name: 2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)hept-5-en-3-one Openeye Name: 2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)hept-5-en-3-one CAS Name: 2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)-5-hepten-3-one IUPAC Name: 2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)hept-5-en-3-one Traditional Name: 2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)hept-5-en-3-one Formula: C12H19N3O MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(=O)C(C)(C)C)N1C=NC=N1)C

Isomeric SMILES

CC(=CC(C(=O)C(C)(C)C)N1C=NC=N1)C

InChI

InChI=1S/C12H19N3O/c1-9(2)6-10(11(16)12(3,4)5)15-8-13-7-14-15/h6-8,10H,1-5H3