N-[[(5E)-3-tert-butyl-5-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]methyl]-2-chloranyl-ethanamide

Systemtic Name: N-[[(5E)-3-tert-butyl-5-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]methyl]-2-chloranyl-ethanamide Openeye Name: N-[[(5E)-3-tert-butyl-6-oxo-5-[p-tolyl(sulfanyl)methylene]cyclohexa-1,3-dien-1-yl]methyl]-2-chloro-acetamide CAS Name: N-[[(5E)-3-tert-butyl-5-[mercapto-(4-methylphenyl)methylidene]-6-oxo-1-cyclohexa-1,3-dienyl]methyl]-2-chloroacetamide IUPAC Name: N-[[(5E)-3-tert-butyl-5-[(4-methylphenyl)-sulfanylmethylidene]-6-oxocyclohexa-1,3-dien-1-yl]methyl]-2-chloroacetamide Traditional Name: N-[[(5E)-3-tert-butyl-6-keto-5-[mercapto(p-tolyl)methylene]cyclohexa-1,3-dien-1-yl]methyl]-2-chloro-acetamide Formula: C21H24ClNO2S MolecularWeight: 389.93876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C=C(C=C(C2=O)CNC(=O)CCl)C(C)(C)C)S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C=C(C=C(C2=O)CNC(=O)CCl)C(C)(C)C)/S

InChI

InChI=1S/C21H24ClNO2S/c1-13-5-7-14(8-6-13)20(26)17-10-16(21(2,3)4)9-15(19(17)25)12-23-18(24)11-22/h5-10,26H,11-12H2,1-4H3,(H,23,24)/b20-17+