S-phenyl 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioate

Systemtic Name: S-phenyl 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioate Openeye Name: S-phenyl 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioate CAS Name: 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioate Traditional Name: 2-cyano-2-(1,3-dithiolan-2-ylidene)ethanethioic acid S-phenyl ester Formula: C12H9NOS3 MolecularWeight: 279.40096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C#N)C(=O)SC2=CC=CC=C2)S1

Isomeric SMILES

C1CSC(=C(C#N)C(=O)SC2=CC=CC=C2)S1

InChI

InChI=1S/C12H9NOS3/c13-8-10(12-15-6-7-16-12)11(14)17-9-4-2-1-3-5-9/h1-5H,6-7H2