2-(1,2,4-triazol-1-yl)hexan-3-one

Systemtic Name: 2-(1,2,4-triazol-1-yl)hexan-3-one Openeye Name: 2-(1,2,4-triazol-1-yl)hexan-3-one CAS Name: 2-(1,2,4-triazol-1-yl)-3-hexanone IUPAC Name: 2-(1,2,4-triazol-1-yl)hexan-3-one Traditional Name: 2-(1,2,4-triazol-1-yl)hexan-3-one Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O/c1-3-4-8(12)7(2)11-6-9-5-10-11/h5-7H,3-4H2,1-2H3