4-azanyl-3-[2,4-bis(fluoranyl)phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 4-azanyl-3-[2,4-bis(fluoranyl)phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 4-amino-3-(2,4-difluorophenyl)sulfanyl-benzonitrile CAS Name: 4-amino-3-[(2,4-difluorophenyl)thio]benzonitrile IUPAC Name: 4-amino-3-(2,4-difluorophenyl)sulfanylbenzonitrile Traditional Name: 4-amino-3-[(2,4-difluorophenyl)thio]benzonitrile Formula: C13H8F2N2S MolecularWeight: 262.277826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F2N2S/c14-9-2-4-12(10(15)6-9)18-13-5-8(7-16)1-3-11(13)17/h1-6H,17H2