2-[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]propanenitrile IUPAC Name: 2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[5-(4-fluorophenyl)-4-keto-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]propionitrile Formula: C22H16FN3OS2 MolecularWeight: 421.510343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN3OS2/c1-13(12-24)28-22-25-20-19(21(27)26(22)17-6-4-3-5-7-17)18(14(2)29-20)15-8-10-16(23)11-9-15/h3-11,13H,1-2H3