N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C25H21BrFN3OS MolecularWeight: 510.421143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=C(C=C(C=C4)Br)F)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=C(C=C(C=C4)Br)F)C#N

InChI

InChI=1S/C25H21BrFN3OS/c26-20-7-9-23(21(27)14-20)29-24(31)10-11-32-25-19(15-28)13-18-12-17(6-8-22(18)30-25)16-4-2-1-3-5-16/h1-5,7,9,13-14,17H,6,8,10-12H2,(H,29,31)