3-fluoranyl-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-fluoro-4-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-fluoro-4-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C12H8FN3OS MolecularWeight: 261.274823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C12H8FN3OS/c13-10-5-8(6-14)1-2-9(10)7-18-12-15-4-3-11(17)16-12/h1-5H,7H2,(H,15,16,17)