N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-cyano-2-fluoranyl-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-4-cyano-2-fluoro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-4-cyano-2-fluorobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-4-cyano-2-fluorobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-4-cyano-2-fluoro-benzamide Formula: C13H13FN6O MolecularWeight: 288.280323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=O)C2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=O)C2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C13H13FN6O/c1-2-3-6-20-18-13(17-19-20)16-12(21)10-5-4-9(8-15)7-11(10)14/h4-5,7H,2-3,6H2,1H3,(H,16,18,21)