6,8-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6,8-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile Openeye Name: 6,8-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile CAS Name: 6,8-dimethyl-2-(phenacylthio)-3-quinolinecarbonitrile IUPAC Name: 6,8-dimethyl-2-phenacylsulfanylquinoline-3-carbonitrile Traditional Name: 6,8-dimethyl-2-(phenacylthio)quinoline-3-carbonitrile Formula: C20H16N2OS MolecularWeight: 332.41884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H16N2OS/c1-13-8-14(2)19-16(9-13)10-17(11-21)20(22-19)24-12-18(23)15-6-4-3-5-7-15/h3-10H,12H2,1-2H3