3,3-dimethyl-1-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-[5-(4-pyridyl)tetrazol-2-yl]butan-2-one CAS Name: 3,3-dimethyl-1-(5-pyridin-4-yl-2-tetrazolyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-pyridin-4-yltetrazol-2-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-[5-(4-pyridyl)tetrazol-2-yl]butan-2-one Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1N=C(N=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C(=O)CN1N=C(N=N1)C2=CC=NC=C2

InChI

InChI=1S/C12H15N5O/c1-12(2,3)10(18)8-17-15-11(14-16-17)9-4-6-13-7-5-9/h4-7H,8H2,1-3H3