2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-(4-piperazin-1-ylphenyl)-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-[4-(1-piperazinyl)phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-(4-piperazin-1-ylphenyl)quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-(4-piperazinophenyl)-2-quinolyl]thio]acetaldehyde Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C21H21N3OS/c25-13-14-26-21-19(15-17-3-1-2-4-20(17)23-21)16-5-7-18(8-6-16)24-11-9-22-10-12-24/h1-8,13,15,22H,9-12,14H2