O-[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate

Systemtic Name: O-[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate Openeye Name: O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C15H15F3N4O2S2 MolecularWeight: 404.43041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C15H15F3N4O2S2/c1-9-3-5-10(6-4-9)12(25)24-11-7-21(2)8-22(11,23)14-20-19-13(26-14)15(16,17)18/h3-6,11H,7-8H2,1-2H3