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

Systemtic Name: 2-(2-oxidanylidenepropylsulfanyl)quinoline-3-carbonitrile Openeye Name: 2-acetonylsulfanylquinoline-3-carbonitrile CAS Name: 2-(2-oxopropylthio)-3-quinolinecarbonitrile IUPAC Name: 2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile Traditional Name: 2-(acetonylthio)quinoline-3-carbonitrile Formula: C13H10N2OS MolecularWeight: 242.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=CC=CC=C2C=C1C#N

Isomeric SMILES

CC(=O)CSC1=NC2=CC=CC=C2C=C1C#N

InChI

InChI=1S/C13H10N2OS/c1-9(16)8-17-13-11(7-14)6-10-4-2-3-5-12(10)15-13/h2-6H,8H2,1H3