5-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-1-(4-methoxyphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-1-(4-methoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(4-methoxyphenyl)tetrazole CAS Name: 5-[[1-(difluoromethyl)-2-imidazolyl]methylthio]-1-(4-methoxyphenyl)tetrazole IUPAC Name: 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(4-methoxyphenyl)tetrazole Traditional Name: 5-[[1-(difluoromethyl)imidazol-2-yl]methylthio]-1-(4-methoxyphenyl)tetrazole Formula: C13H12F2N6OS MolecularWeight: 338.335786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC=CN3C(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC=CN3C(F)F

InChI

InChI=1S/C13H12F2N6OS/c1-22-10-4-2-9(3-5-10)21-13(17-18-19-21)23-8-11-16-6-7-20(11)12(14)15/h2-7,12H,8H2,1H3