3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C13H9F3N6O3S MolecularWeight: 386.30917

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NNC(=O)N2C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NNC(=O)N2C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9F3N6O3S/c1-20-6-17-9(22(24)25)10(20)26-12-19-18-11(23)21(12)8-5-3-2-4-7(8)13(14,15)16/h2-6H,1H3,(H,18,23)