5-bromanyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 5-bromanyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 5-bromo-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 5-bromo-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 5-bromo-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 5-bromo-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C9H5BrF3N5O2S MolecularWeight: 384.13251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C=C2[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C=C2[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C9H5BrF3N5O2S/c1-17-7(9(11,12)13)15-16-8(17)21-6-5(18(19)20)2-4(10)3-14-6/h2-3H,1H3