1-azanyl-3-[[2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-quinolin-4-yl]methylsulfanyl]propan-2-ol

Systemtic Name: 1-azanyl-3-[[2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-quinolin-4-yl]methylsulfanyl]propan-2-ol Openeye Name: 1-amino-3-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolyl]methylsulfanyl]propan-2-ol CAS Name: 1-amino-3-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolinyl]methylthio]-2-propanol IUPAC Name: 1-amino-3-[[2-(5-bromo-1H-indol-3-yl)-7-chloroquinolin-4-yl]methylsulfanyl]propan-2-ol Traditional Name: 1-amino-3-[[2-(5-bromo-1H-indol-3-yl)-7-chloro-4-quinolyl]methylthio]propan-2-ol Formula: C21H19BrClN3OS MolecularWeight: 476.81706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C=C2CSCC(CN)O)C3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C=C2CSCC(CN)O)C3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H19BrClN3OS/c22-13-1-4-19-17(6-13)18(9-25-19)20-5-12(10-28-11-15(27)8-24)16-3-2-14(23)7-21(16)26-20/h1-7,9,15,25,27H,8,10-11,24H2