1-thiophen-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-thiophen-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-(2-thienyl)-4-[[2-(trifluoromethyl)phenyl]methyl]tetrazol-5-one CAS Name: 1-thiophen-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]-5-tetrazolone IUPAC Name: 1-thiophen-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]tetrazol-5-one Traditional Name: 1-(2-thienyl)-4-[2-(trifluoromethyl)benzyl]tetrazol-5-one Formula: C13H9F3N4OS MolecularWeight: 326.29697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)N(N=N2)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)N(N=N2)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C13H9F3N4OS/c14-13(15,16)10-5-2-1-4-9(10)8-19-12(21)20(18-17-19)11-6-3-7-22-11/h1-7H,8H2