3-[2-(2-cyanoethylsulfanyl)-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 3-[2-(2-cyanoethylsulfanyl)-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 3-[2-(2-cyanoethylsulfanyl)-3-oxo-propyl]benzonitrile CAS Name: 3-[2-(2-cyanoethylthio)-3-oxopropyl]benzonitrile IUPAC Name: 3-[2-(2-cyanoethylsulfanyl)-3-oxopropyl]benzonitrile Traditional Name: 3-[2-(2-cyanoethylthio)-3-keto-propyl]benzonitrile Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C=O)SCCC#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CC(C=O)SCCC#N)C#N

InChI

InChI=1S/C13H12N2OS/c14-5-2-6-17-13(10-16)8-11-3-1-4-12(7-11)9-15/h1,3-4,7,10,13H,2,6,8H2