2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[6-(2-fluorophenyl)-3-(o-tolyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-thiazol-2-yl-acetamide CAS Name: 2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[6-(2-fluorophenyl)-7-keto-3-(o-tolyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-thiazol-2-yl-acetamide Formula: C23H16FN5O2S4 MolecularWeight: 541.663843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=NC=CS4)C5=CC=CC=C5F)SC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=NC=CS4)C5=CC=CC=C5F)SC2=S

InChI

InChI=1S/C23H16FN5O2S4/c1-13-6-2-4-8-15(13)28-19-18(35-23(28)32)20(31)29(16-9-5-3-7-14(16)24)22(27-19)34-12-17(30)26-21-25-10-11-33-21/h2-11H,12H2,1H3,(H,25,26,30)