2-bromanyl-N-(4-fluoranyl-2-sulfanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-bromanyl-N-(4-fluoranyl-2-sulfanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-bromo-N-(4-fluoro-2-sulfanyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-bromo-N-(4-fluoro-2-mercaptophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-bromo-N-(4-fluoro-2-sulfanylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-bromo-N-(4-fluoro-2-mercapto-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H13BrFNOS2 MolecularWeight: 386.302223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)Br)C(=O)NC3=C(C=C(C=C3)F)S

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)Br)C(=O)NC3=C(C=C(C=C3)F)S

InChI

InChI=1S/C15H13BrFNOS2/c16-14-13(9-3-1-2-4-12(9)21-14)15(19)18-10-6-5-8(17)7-11(10)20/h5-7,20H,1-4H2,(H,18,19)