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

Systemtic Name: 4-[[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

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