9-fluoranyl-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 9-fluoranyl-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 9-fluoro-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-fluoro-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 9-fluoro-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 9-fluoro-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C17H18FNO2S MolecularWeight: 319.393723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C(=C(C(=C2F)O)O)SC3=CC=CC=C3

Isomeric SMILES

CN1CCC2=C(CC1)C(=C(C(=C2F)O)O)SC3=CC=CC=C3

InChI

InChI=1S/C17H18FNO2S/c1-19-9-7-12-13(8-10-19)17(16(21)15(20)14(12)18)22-11-5-3-2-4-6-11/h2-6,20-21H,7-10H2,1H3