4-methyl-2-(2-oxidanylidenepropylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropylsulfanyl)quinoline-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-methyl-quinoline-3-carbonitrile CAS Name: 4-methyl-2-(2-oxopropylthio)-3-quinolinecarbonitrile IUPAC Name: 4-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-methyl-quinoline-3-carbonitrile Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)SCC(=O)C)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)SCC(=O)C)C#N

InChI

InChI=1S/C14H12N2OS/c1-9(17)8-18-14-12(7-15)10(2)11-5-3-4-6-13(11)16-14/h3-6H,8H2,1-2H3