2-[1-[3,5-bis(chloranyl)phenoxy]-9-oxidanylidene-thioxanthen-3-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[1-[3,5-bis(chloranyl)phenoxy]-9-oxidanylidene-thioxanthen-3-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[1-(3,5-dichlorophenoxy)-9-oxo-thioxanthen-3-yl]-2-phenyl-acetonitrile CAS Name: 2-[1-(3,5-dichlorophenoxy)-9-oxo-3-thioxanthenyl]-2-phenylacetonitrile IUPAC Name: 2-[1-(3,5-dichlorophenoxy)-9-oxothioxanthen-3-yl]-2-phenylacetonitrile Traditional Name: 2-[1-(3,5-dichlorophenoxy)-9-keto-thioxanthen-3-yl]-2-phenyl-acetonitrile Formula: C27H15Cl2NO2S MolecularWeight: 488.3845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=CC(=C3C(=C2)SC4=CC=CC=C4C3=O)OC5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=CC(=C3C(=C2)SC4=CC=CC=C4C3=O)OC5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C27H15Cl2NO2S/c28-18-12-19(29)14-20(13-18)32-23-10-17(22(15-30)16-6-2-1-3-7-16)11-25-26(23)27(31)21-8-4-5-9-24(21)33-25/h1-14,22H