2-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile Traditional Name: 2-[[6-(2-fluorophenyl)-7-keto-3-o-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetonitrile Formula: C21H15FN4O2S3 MolecularWeight: 470.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4F)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4F)SC2=S

InChI

InChI=1S/C21H15FN4O2S3/c1-2-28-16-10-6-5-9-15(16)25-18-17(31-21(25)29)19(27)26(20(24-18)30-12-11-23)14-8-4-3-7-13(14)22/h3-10H,2,12H2,1H3