N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C14H14F3N5O3S MolecularWeight: 389.35287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)CSC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)CSC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N5O3S/c1-9-19-7-13(22(24)25)21(9)5-4-18-11(23)8-26-12-3-2-10(6-20-12)14(15,16)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,23)