4-cyano-N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Systemtic Name: 4-cyano-N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Openeye Name: 4-cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide CAS Name: 4-cyano-N-[1,2,3-trihydroxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 4-cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Traditional Name: 4-cyano-N-[1,2,3-trihydroxy-9-keto-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N2O5S/c1-33-21-9-7-16-17(11-19(21)28)18(27-25(32)14-4-2-13(12-26)3-5-14)8-6-15-10-20(29)23(30)24(31)22(15)16/h2-5,7,9-11,18,29-31H,6,8H2,1H3,(H,27,32)