N-(2-tert-butylsulfanylethyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(2-tert-butylsulfanylethyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[2-(tert-butylthio)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(2-tert-butylsulfanylethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: 2-(tert-butylthio)ethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C13H16F3N3O4S MolecularWeight: 367.34405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O4S/c1-12(2,3)24-5-4-17-11-9(18(20)21)6-8(13(14,15)16)7-10(11)19(22)23/h6-7,17H,4-5H2,1-3H3