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

Systemtic Name: O-[3-(5-fluoranyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-methylbenzenecarbothioate Openeye Name: O-[3-(5-fluorothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid O-[3-(5-fluoro-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[3-(5-fluoro-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid O-[3-(5-fluorothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H16FN3O2S2 MolecularWeight: 353.434843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16FN3O2S2/c1-10-4-3-5-11(6-10)14(22)21-13-8-18(2)9-19(13,20)15-17-7-12(16)23-15/h3-7,13H,8-9H2,1-2H3