2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C13H8F6N8O2S2 MolecularWeight: 486.375439

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC(=C(C=C2)[N+](=O)[O-])SC3=NN=C(N3C)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=NC(=C(C=C2)[N+](=O)[O-])SC3=NN=C(N3C)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H8F6N8O2S2/c1-25-8(12(14,15)16)21-23-10(25)30-6-4-3-5(27(28)29)7(20-6)31-11-24-22-9(26(11)2)13(17,18)19/h3-4H,1-2H3