4-[3,4-bis(fluoranyl)phenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]sulfanylbenzenecarbonitrile Openeye Name: 4-(3,4-difluorophenyl)sulfanylbenzonitrile CAS Name: 4-[(3,4-difluorophenyl)thio]benzonitrile IUPAC Name: 4-(3,4-difluorophenyl)sulfanylbenzonitrile Traditional Name: 4-[(3,4-difluorophenyl)thio]benzonitrile Formula: C13H7F2NS MolecularWeight: 247.263186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7F2NS/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H