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

Systemtic Name: 6-methyl-2-(2-oxidanylidenepropylsulfanyl)quinoline-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-methyl-quinoline-3-carbonitrile CAS Name: 6-methyl-2-(2-oxopropylthio)-3-quinolinecarbonitrile IUPAC Name: 6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-methyl-quinoline-3-carbonitrile Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C

InChI

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