2-[[2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-quinolin-4-yl]methylsulfinyl]ethanamine

Systemtic Name: 2-[[2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-quinolin-4-yl]methylsulfinyl]ethanamine Openeye Name: 2-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolyl]methylsulfinyl]ethanamine CAS Name: 2-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolinyl]methylsulfinyl]ethanamine IUPAC Name: 2-[[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methylsulfinyl]ethanamine Traditional Name: 2-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolyl]methylsulfinyl]ethylamine Formula: C20H17BrClN3OS MolecularWeight: 462.79048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C=C2CS(=O)CCN)C3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C=C2CS(=O)CCN)C3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H17BrClN3OS/c21-13-1-4-18-16(8-13)17(10-24-18)19-7-12(11-27(26)6-5-23)15-3-2-14(22)9-20(15)25-19/h1-4,7-10,24H,5-6,11,23H2