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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-fluorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C14H8FN3OS2 MolecularWeight: 317.361223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)SCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)SCC#N)F

InChI

InChI=1S/C14H8FN3OS2/c15-9-3-1-8(2-4-9)10-7-21-13-11(10)12(19)17-14(18-13)20-6-5-16/h1-4,7H,6H2,(H,17,18,19)