3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C13H8F3N3S MolecularWeight: 295.28293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N3S/c14-13(15,16)11-4-5-18-12(19-11)20-8-10-3-1-2-9(6-10)7-17/h1-6H,8H2