2,6-ditert-butyl-4-[methylsulfanyl-(prop-2-enylamino)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[methylsulfanyl-(prop-2-enylamino)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(allylamino)-methylsulfanyl-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(methylthio)-(prop-2-enylamino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[methylsulfanyl-(prop-2-enylamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(allylamino)-(methylthio)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C19H29NOS MolecularWeight: 319.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(NCC=C)SC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(NCC=C)SC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C19H29NOS/c1-9-10-20-17(22-8)13-11-14(18(2,3)4)16(21)15(12-13)19(5,6)7/h9,11-12,20H,1,10H2,2-8H3