2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-phenothiazin-10-yl-ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-phenothiazin-10-ylethanone Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-phenothiazin-10-yl-ethanone Formula: C28H31NO2S2 MolecularWeight: 477.68124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C28H31NO2S2/c1-27(2,3)19-15-18(16-20(26(19)31)28(4,5)6)32-17-25(30)29-21-11-7-9-13-23(21)33-24-14-10-8-12-22(24)29/h7-16,31H,17H2,1-6H3