4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C14H10F3N3S MolecularWeight: 309.30951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H10F3N3S/c1-9-6-12(14(15,16)17)20-13(19-9)21-8-11-4-2-10(7-18)3-5-11/h2-6H,8H2,1H3