N-[4-(cyanomethyl)phenyl]-9,10,10-tris(oxidanylidene)-N-propan-2-ylsulfonyl-thioxanthene-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-9,10,10-tris(oxidanylidene)-N-propan-2-ylsulfonyl-thioxanthene-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-9,10,10-trioxo-N-propan-2-ylsulfonyl-3-thioxanthenecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-9,10,10-trioxo-N-propan-2-ylsulfonylthioxanthene-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H20N2O6S2 MolecularWeight: 508.5661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C25H20N2O6S2/c1-16(2)35(32,33)27(19-10-7-17(8-11-19)13-14-26)25(29)18-9-12-21-23(15-18)34(30,31)22-6-4-3-5-20(22)24(21)28/h3-12,15-16H,13H2,1-2H3