2-(2-oxidanylidenepropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(2-oxidanylidenepropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(2-oxopropylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-oxopropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(acetonylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(CCCC2)C=C1C#N

Isomeric SMILES

CC(=O)CSC1=NC2=C(CCCC2)C=C1C#N

InChI

InChI=1S/C13H14N2OS/c1-9(16)8-17-13-11(7-14)6-10-4-2-3-5-12(10)15-13/h6H,2-5,8H2,1H3