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

Systemtic Name: 3-fluoranyl-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-fluoro-4-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-fluoro-4-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C15H14FN3OS MolecularWeight: 303.354563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H14FN3OS/c1-2-3-12-7-14(20)19-15(18-12)21-9-11-5-4-10(8-17)6-13(11)16/h4-7H,2-3,9H2,1H3,(H,18,19,20)