4-[[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzene-1,2-diol Openeye Name: 4-[[(6-fluorothiochroman-4-yl)amino]methyl]benzene-1,2-diol CAS Name: 4-[[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzene-1,2-diol Traditional Name: 4-[[(6-fluorothiochroman-4-yl)amino]methyl]pyrocatechol Formula: C16H16FNO2S MolecularWeight: 305.367143

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NCC3=CC(=C(C=C3)O)O)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NCC3=CC(=C(C=C3)O)O)C=C(C=C2)F

InChI

InChI=1S/C16H16FNO2S/c17-11-2-4-16-12(8-11)13(5-6-21-16)18-9-10-1-3-14(19)15(20)7-10/h1-4,7-8,13,18-20H,5-6,9H2