4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzenecarbonitrile Openeye Name: 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzonitrile CAS Name: 4-[[5-(trifluoromethyl)-2-pyridinyl]thio]benzonitrile IUPAC Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzonitrile Traditional Name: 4-[[5-(trifluoromethyl)-2-pyridyl]thio]benzonitrile Formula: C13H7F3N2S MolecularWeight: 280.26829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H7F3N2S/c14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11/h1-6,8H