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

Systemtic Name: 2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]phenyl]benzonitrile Formula: C19H12F3N3S MolecularWeight: 371.37889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C19H12F3N3S/c20-19(21,22)17-9-10-24-18(25-17)26-12-13-5-7-14(8-6-13)16-4-2-1-3-15(16)11-23/h1-10H,12H2