5,7-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile Openeye Name: 5,7-dimethyl-2-phenacylsulfanyl-quinoline-3-carbonitrile CAS Name: 5,7-dimethyl-2-(phenacylthio)-3-quinolinecarbonitrile IUPAC Name: 5,7-dimethyl-2-phenacylsulfanylquinoline-3-carbonitrile Traditional Name: 5,7-dimethyl-2-(phenacylthio)quinoline-3-carbonitrile Formula: C20H16N2OS MolecularWeight: 332.41884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC=CC=C3)C#N)C

InChI

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