2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3S/c1-14-5-6-15(20(2,3)4)11-17(14)28-13-19(25)22-10-9-21-18-8-7-16(12-23-18)24(26)27/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,23)(H,22,25)