4-[4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]phenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]phenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[(7-methylsulfanyl-2-quinolyl)sulfanylmethyl]phenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[[7-(methylthio)-2-quinolinyl]thio]methyl]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]phenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[[7-(methylthio)-2-quinolyl]thio]methyl]phenyl]piperazine-1-carbaldehyde Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=CC(=N2)SCC3=CC=C(C=C3)N4CCN(CC4)C=O

Isomeric SMILES

CSC1=CC2=C(C=C1)C=CC(=N2)SCC3=CC=C(C=C3)N4CCN(CC4)C=O

InChI

InChI=1S/C22H23N3OS2/c1-27-20-8-4-18-5-9-22(23-21(18)14-20)28-15-17-2-6-19(7-3-17)25-12-10-24(16-26)11-13-25/h2-9,14,16H,10-13,15H2,1H3