2-(1,3-dithian-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: 2-(1,3-dithian-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 2-(1,3-dithian-2-ylidene)-3-oxo-3-phenyl-propanenitrile CAS Name: 2-(1,3-dithian-2-ylidene)-3-oxo-3-phenylpropanenitrile IUPAC Name: 2-(1,3-dithian-2-ylidene)-3-oxo-3-phenylpropanenitrile Traditional Name: 2-(1,3-dithian-2-ylidene)-3-keto-3-phenyl-propionitrile Formula: C13H11NOS2 MolecularWeight: 261.36254

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C#N)C(=O)C2=CC=CC=C2)SC1

Isomeric SMILES

C1CSC(=C(C#N)C(=O)C2=CC=CC=C2)SC1

InChI

InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2