3-(1,2,4-triazol-1-yl)but-3-en-2-one

Systemtic Name: 3-(1,2,4-triazol-1-yl)but-3-en-2-one Openeye Name: 3-(1,2,4-triazol-1-yl)but-3-en-2-one CAS Name: 3-(1,2,4-triazol-1-yl)-3-buten-2-one IUPAC Name: 3-(1,2,4-triazol-1-yl)but-3-en-2-one Traditional Name: 3-(1,2,4-triazol-1-yl)but-3-en-2-one Formula: C6H7N3O MolecularWeight: 137.13928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7N3O/c1-5(6(2)10)9-4-7-3-8-9/h3-4H,1H2,2H3