2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-fluoro-6-(isothiochroman-4-ylamino)benzonitrile CAS Name: 2-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-6-fluorobenzonitrile IUPAC Name: 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-(isothiochroman-4-ylamino)benzonitrile Formula: C16H13FN2S MolecularWeight: 284.351223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C16H13FN2S/c17-14-6-3-7-15(13(14)8-18)19-16-10-20-9-11-4-1-2-5-12(11)16/h1-7,16,19H,9-10H2