2-[4-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(8-fluorothiochroman-4-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(8-fluorothiochroman-4-yl)amino]phenyl]acetonitrile Formula: C17H15FN2S MolecularWeight: 298.377803

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC3=CC=C(C=C3)CC#N)C=CC=C2F

Isomeric SMILES

C1CSC2=C(C1NC3=CC=C(C=C3)CC#N)C=CC=C2F

InChI

InChI=1S/C17H15FN2S/c18-15-3-1-2-14-16(9-11-21-17(14)15)20-13-6-4-12(5-7-13)8-10-19/h1-7,16,20H,8-9,11H2