2-[3-(3-bromophenyl)-4-(butylamino)quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[3-(3-bromophenyl)-4-(butylamino)quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-(3-bromophenyl)-4-(butylamino)-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-(3-bromophenyl)-4-(butylamino)-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-(3-bromophenyl)-4-(butylamino)quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-(3-bromophenyl)-4-(butylamino)-2-quinolyl]thio]acetaldehyde Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC2=CC=CC=C21)SCC=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCNC1=C(C(=NC2=CC=CC=C21)SCC=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2OS/c1-2-3-11-23-20-17-9-4-5-10-18(17)24-21(26-13-12-25)19(20)15-7-6-8-16(22)14-15/h4-10,12,14H,2-3,11,13H2,1H3,(H,23,24)