4-chloranyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 4-chloranyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-chloro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-chloro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-chloro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-chloro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C8H12ClN3O MolecularWeight: 201.65338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12ClN3O/c1-8(2,4-9)7(13)3-12-6-10-5-11-12/h5-6H,3-4H2,1-2H3