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7-tert-butylsulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole

7-tert-butylsulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole

Systemtic Name:7-tert-butylsulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole
Openeye Name:7-tert-butylsulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole
CAS Name:7-(tert-butylthio)-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole
IUPAC Name:7-tert-butylsulfanyl-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole
Traditional Name:7-(tert-butylthio)-4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole
Formula: C13H11F6N3O2S
MolecularWeight: 387.300759
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N=C(N2)C(F)(F)F


Isomeric SMILES

CC(C)(C)SC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N=C(N2)C(F)(F)F


InChI

InChI=1S/C13H11F6N3O2S/c1-11(2,3)25-9-5(12(14,15)16)4-6(22(23)24)7-8(9)21-10(20-7)13(17,18)19/h4H,1-3H3,(H,20,21)


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