2-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one

Systemtic Name: 2-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one Openeye Name: 2-(2-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one CAS Name: 2-(2-tert-butyl-5-tetrazolyl)-1-(4-fluorophenyl)-2-propen-1-one IUPAC Name: 2-(2-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one Traditional Name: 2-(2-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one Formula: C14H15FN4O MolecularWeight: 274.293503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1N=C(N=N1)C(=C)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)N1N=C(N=N1)C(=C)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H15FN4O/c1-9(12(20)10-5-7-11(15)8-6-10)13-16-18-19(17-13)14(2,3)4/h5-8H,1H2,2-4H3