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

Systemtic Name: 1-thiophen-2-yl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-(2-thienyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]tetrazol-5-one CAS Name: 1-thiophen-2-yl-4-[[4-(trifluoromethoxy)phenyl]methyl]-5-tetrazolone IUPAC Name: 1-thiophen-2-yl-4-[[4-(trifluoromethoxy)phenyl]methyl]tetrazol-5-one Traditional Name: 1-(2-thienyl)-4-[4-(trifluoromethoxy)benzyl]tetrazol-5-one Formula: C13H9F3N4O2S MolecularWeight: 342.29637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C(=O)N(N=N2)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CSC(=C1)N2C(=O)N(N=N2)CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C13H9F3N4O2S/c14-13(15,16)22-10-5-3-9(4-6-10)8-19-12(21)20(18-17-19)11-2-1-7-23-11/h1-7H,8H2