2-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 2-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 2-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzonitrile CAS Name: 2-[3,3-bis(methylthio)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 2-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzonitrile Traditional Name: 2-[3,3-bis(methylthio)acryloyl]benzonitrile Formula: C12H11NOS2 MolecularWeight: 249.35184

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC(=O)C1=CC=CC=C1C#N)SC

Isomeric SMILES

CSC(=CC(=O)C1=CC=CC=C1C#N)SC

InChI

InChI=1S/C12H11NOS2/c1-15-12(16-2)7-11(14)10-6-4-3-5-9(10)8-13/h3-7H,1-2H3