4-[2-sulfanyl-5-(trifluoromethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[2-sulfanyl-5-(trifluoromethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[2-sulfanyl-5-(trifluoromethyl)benzoyl]benzonitrile CAS Name: 4-[[2-mercapto-5-(trifluoromethyl)phenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-sulfanyl-5-(trifluoromethyl)benzoyl]benzonitrile Traditional Name: 4-[2-mercapto-5-(trifluoromethyl)benzoyl]benzonitrile Formula: C15H8F3NOS MolecularWeight: 307.29033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C2=C(C=CC(=C2)C(F)(F)F)S

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)C2=C(C=CC(=C2)C(F)(F)F)S

InChI

InChI=1S/C15H8F3NOS/c16-15(17,18)11-5-6-13(21)12(7-11)14(20)10-3-1-9(8-19)2-4-10/h1-7,21H