2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-3-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]propanenitrile

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-3-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]propanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-3-(9,10,10-trioxothioxanthen-3-yl)propanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-3-(9,10,10-trioxo-3-thioxanthenyl)propanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-(9,10,10-trioxothioxanthen-3-yl)propanenitrile Traditional Name: 3-keto-2-(4-methylthiazol-2-yl)-3-(9,10,10-triketothioxanthen-3-yl)propionitrile Formula: C20H12N2O4S2 MolecularWeight: 408.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H12N2O4S2/c1-11-10-27-20(22-11)15(9-21)18(23)12-6-7-14-17(8-12)28(25,26)16-5-3-2-4-13(16)19(14)24/h2-8,10,15H,1H3