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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(9,10,10-trioxothioxanthen-3-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(9,10,10-trioxo-3-thioxanthenyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(9,10,10-trioxothioxanthen-3-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(9,10,10-triketothioxanthen-3-yl)propionitrile Formula: C23H12N2O4S2 MolecularWeight: 444.48238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H12N2O4S2/c24-12-16(23-25-17-6-2-3-7-18(17)30-23)21(26)13-9-10-15-20(11-13)31(28,29)19-8-4-1-5-14(19)22(15)27/h1-11,16H