2-[4-(4-bromophenyl)-3-phenyl-5-piperazin-1-yl-quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[4-(4-bromophenyl)-3-phenyl-5-piperazin-1-yl-quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[4-(4-bromophenyl)-3-phenyl-5-piperazin-1-yl-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[4-(4-bromophenyl)-3-phenyl-5-(1-piperazinyl)-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[4-(4-bromophenyl)-3-phenyl-5-piperazin-1-ylquinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[4-(4-bromophenyl)-3-phenyl-5-piperazino-2-quinolyl]thio]acetaldehyde Formula: C27H24BrN3OS MolecularWeight: 518.46796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=NC(=C(C(=C32)C4=CC=C(C=C4)Br)C5=CC=CC=C5)SCC=O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=NC(=C(C(=C32)C4=CC=C(C=C4)Br)C5=CC=CC=C5)SCC=O

InChI

InChI=1S/C27H24BrN3OS/c28-21-11-9-20(10-12-21)24-25(19-5-2-1-3-6-19)27(33-18-17-32)30-22-7-4-8-23(26(22)24)31-15-13-29-14-16-31/h1-12,17,29H,13-16,18H2