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

Systemtic Name: (E)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=CN1C=NC=N1

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O/c1-9(2,3)8(13)4-5-12-7-10-6-11-12/h4-7H,1-3H3/b5-4+