2,6-ditert-butyl-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(benzylamino)-sulfanyl-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-[(phenylmethyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(benzylamino)-sulfanylmethylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzylamino)-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(NCC2=CC=CC=C2)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(NCC2=CC=CC=C2)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H29NOS/c1-21(2,3)17-12-16(13-18(19(17)24)22(4,5)6)20(25)23-14-15-10-8-7-9-11-15/h7-13,23,25H,14H2,1-6H3