2-[9-(4-methoxy-2,6-dimethyl-phenyl)-3H-thioxanthen-3-yl]propanedinitrile

Systemtic Name: 2-[9-(4-methoxy-2,6-dimethyl-phenyl)-3H-thioxanthen-3-yl]propanedinitrile Openeye Name: 2-[9-(4-methoxy-2,6-dimethyl-phenyl)-3H-thioxanthen-3-yl]propanedinitrile CAS Name: 2-[9-(4-methoxy-2,6-dimethylphenyl)-3H-thioxanthen-3-yl]propanedinitrile IUPAC Name: 2-[9-(4-methoxy-2,6-dimethylphenyl)-3H-thioxanthen-3-yl]propanedinitrile Traditional Name: 2-[9-(4-methoxy-2,6-dimethyl-phenyl)-3H-thioxanthen-3-yl]malononitrile Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C3C=CC(C=C3SC4=CC=CC=C42)C(C#N)C#N)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1C2=C3C=CC(C=C3SC4=CC=CC=C42)C(C#N)C#N)C)OC

InChI

InChI=1S/C25H20N2OS/c1-15-10-19(28-3)11-16(2)24(15)25-20-6-4-5-7-22(20)29-23-12-17(8-9-21(23)25)18(13-26)14-27/h4-12,17-18H,1-3H3