(2S)-2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylcyclohexanone CAS Name: (2S)-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylcyclohexan-1-one Traditional Name: (2S)-2-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]thio]cyclohexanone Formula: C14H13F3N4O2S MolecularWeight: 358.33883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C14H13F3N4O2S/c15-14(16,17)23-10-7-5-9(6-8-10)21-13(18-19-20-21)24-12-4-2-1-3-11(12)22/h5-8,12H,1-4H2/t12-/m0/s1