2-[[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-fluorophenyl)-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H14FN3OS2 MolecularWeight: 407.483763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3OS2/c1-12-17(13-6-8-16(22)9-7-13)18-19(26)24-21(25-20(18)28-12)27-11-15-5-3-2-4-14(15)10-23/h2-9H,11H2,1H3,(H,24,25,26)