S-[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl] 4-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl] 4-(trifluoromethyl)benzenecarbothioate Openeye Name: S-[4-(p-tolylsulfonyl)thiazol-5-yl] 4-(trifluoromethyl)benzenecarbothioate CAS Name: 4-(trifluoromethyl)benzenecarbothioic acid S-[4-(4-methylphenyl)sulfonyl-5-thiazolyl] ester IUPAC Name: S-[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl] 4-(trifluoromethyl)benzenecarbothioate Traditional Name: 4-(trifluoromethyl)thiobenzoic acid S-(4-tosylthiazol-5-yl) ester Formula: C18H12F3NO3S3 MolecularWeight: 443.48299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=N2)SC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=N2)SC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3NO3S3/c1-11-2-8-14(9-3-11)28(24,25)15-17(26-10-22-15)27-16(23)12-4-6-13(7-5-12)18(19,20)21/h2-10H,1H3