2-[2-(phenylmethylsulfanyl)pyridin-3-yl]-1H-quinolin-4-one

Systemtic Name: 2-[2-(phenylmethylsulfanyl)pyridin-3-yl]-1H-quinolin-4-one Openeye Name: 2-(2-benzylsulfanyl-3-pyridyl)-1H-quinolin-4-one CAS Name: 2-[2-(phenylmethylthio)-3-pyridinyl]-1H-quinolin-4-one IUPAC Name: 2-(2-benzylsulfanylpyridin-3-yl)-1H-quinolin-4-one Traditional Name: 2-[2-(benzylthio)-3-pyridyl]-4-quinolone Formula: C21H16N2OS MolecularWeight: 344.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H16N2OS/c24-20-13-19(23-18-11-5-4-9-16(18)20)17-10-6-12-22-21(17)25-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,24)