2-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-fluorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C20H12FN3OS2 MolecularWeight: 393.457183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)C#N

InChI

InChI=1S/C20H12FN3OS2/c21-15-7-5-12(6-8-15)16-11-26-19-17(16)18(25)23-20(24-19)27-10-14-4-2-1-3-13(14)9-22/h1-8,11H,10H2,(H,23,24,25)