N-(5-bromanylquinolin-8-yl)-3-(2-chloranyl-6-nitro-phenyl)sulfanyl-propanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-3-(2-chloranyl-6-nitro-phenyl)sulfanyl-propanamide Openeye Name: N-(5-bromo-8-quinolyl)-3-(2-chloro-6-nitro-phenyl)sulfanyl-propanamide CAS Name: N-(5-bromo-8-quinolinyl)-3-[(2-chloro-6-nitrophenyl)thio]propanamide IUPAC Name: N-(5-bromoquinolin-8-yl)-3-(2-chloro-6-nitrophenyl)sulfanylpropanamide Traditional Name: N-(5-bromo-8-quinolyl)-3-[(2-chloro-6-nitro-phenyl)thio]propionamide Formula: C18H13BrClN3O3S MolecularWeight: 466.73612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SCCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SCCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrClN3O3S/c19-12-6-7-14(17-11(12)3-2-9-21-17)22-16(24)8-10-27-18-13(20)4-1-5-15(18)23(25)26/h1-7,9H,8,10H2,(H,22,24)