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

Systemtic Name: 3-[2-methyl-1-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyl-indolizin-3-yl]propanenitrile Openeye Name: 3-[2-methyl-1-(9,10,10-trioxothioxanthene-3-carbonyl)indolizin-3-yl]propanenitrile CAS Name: 3-[2-methyl-1-[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]-3-indolizinyl]propanenitrile IUPAC Name: 3-[2-methyl-1-(9,10,10-trioxothioxanthene-3-carbonyl)indolizin-3-yl]propanenitrile Traditional Name: 3-[2-methyl-1-(9,10,10-triketothioxanthene-3-carbonyl)indolizin-3-yl]propionitrile Formula: C26H18N2O4S MolecularWeight: 454.49712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)CCC#N

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)CCC#N

InChI

InChI=1S/C26H18N2O4S/c1-16-20(9-6-13-27)28-14-5-4-8-21(28)24(16)25(29)17-11-12-19-23(15-17)33(31,32)22-10-3-2-7-18(22)26(19)30/h2-5,7-8,10-12,14-15H,6,9H2,1H3