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

Systemtic Name: O-[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate Openeye Name: O-[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid O-[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H17ClN4O2S2 MolecularWeight: 384.90408

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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)CCl)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O2S2/c1-10-3-5-11(6-4-10)14(23)22-13-8-19(2)9-20(13,21)15-18-17-12(7-16)24-15/h3-6,13H,7-9H2,1-2H3