(3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-methyl-4,5-bis(methylsulfanyl)pyrrol-3-yl]methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-methyl-4,5-bis(methylsulfanyl)pyrrol-3-yl]methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[1-methyl-4,5-bis(methylsulfanyl)pyrrol-3-yl]methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-methyl-4,5-bis(methylthio)-3-pyrrolyl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-methyl-4,5-bis(methylsulfanyl)pyrrol-3-yl]methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[1-methyl-4,5-bis(methylthio)pyrrol-3-yl]methanone Formula: C22H31NO2S2 MolecularWeight: 405.61704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2SC)SC)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CN(C(=C2SC)SC)C

InChI

InChI=1S/C22H31NO2S2/c1-21(2,3)15-10-13(11-16(18(15)25)22(4,5)6)17(24)14-12-23(7)20(27-9)19(14)26-8/h10-12,25H,1-9H3