3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanal

Systemtic Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanal Openeye Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanal CAS Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanal IUPAC Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanal Traditional Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butyraldehyde Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O/c1-8(2,3)7(4-12)11-6-9-5-10-11/h4-7H,1-3H3