1,3-bis(quinolin-8-ylsulfanyl)propan-2-one

Systemtic Name: 1,3-bis(quinolin-8-ylsulfanyl)propan-2-one Openeye Name: 1,3-bis(8-quinolylsulfanyl)propan-2-one CAS Name: 1,3-bis(8-quinolinylthio)-2-propanone IUPAC Name: 1,3-bis(quinolin-8-ylsulfanyl)propan-2-one Traditional Name: 1,3-bis(8-quinolylthio)acetone Formula: C21H16N2OS2 MolecularWeight: 376.49454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)CSC3=CC=CC4=C3N=CC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)CSC3=CC=CC4=C3N=CC=C4)N=CC=C2

InChI

InChI=1S/C21H16N2OS2/c24-17(13-25-18-9-1-5-15-7-3-11-22-20(15)18)14-26-19-10-2-6-16-8-4-12-23-21(16)19/h1-12H,13-14H2