7-butan-2-ylsulfanyl-4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 7-butan-2-ylsulfanyl-4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole Openeye Name: 4,6-dinitro-7-sec-butylsulfanyl-2-(trifluoromethyl)-1H-benzimidazole CAS Name: 7-(butan-2-ylthio)-4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 7-butan-2-ylsulfanyl-4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole Traditional Name: 4,6-dinitro-7-(sec-butylthio)-2-(trifluoromethyl)-1H-benzimidazole Formula: C12H11F3N4O4S MolecularWeight: 364.30035

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N4O4S/c1-3-5(2)24-10-7(19(22)23)4-6(18(20)21)8-9(10)17-11(16-8)12(13,14)15/h4-5H,3H2,1-2H3,(H,16,17)