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

Systemtic Name: 3-bromanyl-4-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(8-fluorothiochroman-4-yl)amino]benzonitrile CAS Name: 3-bromo-4-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]benzonitrile IUPAC Name: 3-bromo-4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]benzonitrile Traditional Name: 3-bromo-4-[(8-fluorothiochroman-4-yl)amino]benzonitrile Formula: C16H12BrFN2S MolecularWeight: 363.247283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN2S/c17-12-8-10(9-19)4-5-15(12)20-14-6-7-21-16-11(14)2-1-3-13(16)18/h1-5,8,14,20H,6-7H2