2-[10,10-bis(oxidanylidene)-9H-thioxanthen-2-yl]propanenitrile

Systemtic Name: 2-[10,10-bis(oxidanylidene)-9H-thioxanthen-2-yl]propanenitrile Openeye Name: 2-(10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile CAS Name: 2-(10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile IUPAC Name: 2-(10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile Traditional Name: 2-(10,10-diketo-9H-thioxanthen-2-yl)propionitrile Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C2

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C2

InChI

InChI=1S/C16H13NO2S/c1-11(10-17)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)20(16,18)19/h2-8,11H,9H2,1H3