(E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)non-5-en-3-one

Systemtic Name: (E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)non-5-en-3-one Openeye Name: (E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)non-5-en-3-one CAS Name: (E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-5-nonen-3-one IUPAC Name: (E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)non-5-en-3-one Traditional Name: (E)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)non-5-en-3-one Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C=C/C(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C13H21N3O/c1-5-6-7-8-11(12(17)13(2,3)4)16-10-14-9-15-16/h7-11H,5-6H2,1-4H3/b8-7+