2-[[6-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[6-(4-fluorophenyl)-3-(2-furylmethyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-(4-fluorophenyl)-3-(2-furanylmethyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[6-(4-fluorophenyl)-3-(furan-2-ylmethyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[6-(4-fluorophenyl)-3-(2-furfuryl)-7-keto-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]methyl]benzonitrile Formula: C24H15FN4O2S3 MolecularWeight: 506.594903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SC(=S)N3CC5=CC=CO5)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SC(=S)N3CC5=CC=CO5)C#N

InChI

InChI=1S/C24H15FN4O2S3/c25-17-7-9-18(10-8-17)29-22(30)20-21(28(24(32)34-20)13-19-6-3-11-31-19)27-23(29)33-14-16-5-2-1-4-15(16)12-26/h1-11H,13-14H2