2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C28H21F3N4O2S3 MolecularWeight: 598.68215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C5)SC2=S)C

InChI

InChI=1S/C28H21F3N4O2S3/c1-16-12-13-19(14-17(16)2)34-24-23(40-27(34)38)25(37)35(18-8-4-3-5-9-18)26(33-24)39-15-22(36)32-21-11-7-6-10-20(21)28(29,30)31/h3-14H,15H2,1-2H3,(H,32,36)