1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-(2-pyridylthio)ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C19H21N3O5S/c1-11-15(13(23)10-28-14-8-6-7-9-20-14)12(2)18(22(26)27)16(19(3,4)5)17(11)21(24)25/h6-9H,10H2,1-5H3