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

Systemtic Name: 3-(5-bromanyl-3-nitro-pyridin-2-yl)sulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-bromo-3-nitro-2-pyridinyl)thio]-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-bromo-3-nitropyridin-2-yl)sulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-bromo-3-nitro-2-pyridyl)thio]-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C14H7BrF3N5O3S MolecularWeight: 462.20129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C14H7BrF3N5O3S/c15-8-5-10(23(25)26)11(19-6-8)27-13-21-20-12(24)22(13)9-3-1-2-7(4-9)14(16,17)18/h1-6H,(H,20,24)