2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[(3-methyl-4-nitro-2-pyridyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[(3-methyl-4-nitro-2-pyridinyl)methylthio]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[(3-methyl-4-nitropyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[(3-methyl-4-nitro-2-pyridyl)methylthio]-6-(trifluoromethyl)-1H-benzimidazole Formula: C15H11F3N4O2S MolecularWeight: 368.33365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N4O2S/c1-8-12(19-5-4-13(8)22(23)24)7-25-14-20-10-3-2-9(15(16,17)18)6-11(10)21-14/h2-6H,7H2,1H3,(H,20,21)