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

Systemtic Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine CAS Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitropyrimidine IUPAC Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidine Traditional Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidine Formula: C12H7F6N9O2S2 MolecularWeight: 487.363499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C(=NC=N2)SC3=NN=C(N3C)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C(=NC=N2)SC3=NN=C(N3C)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H7F6N9O2S2/c1-25-7(11(13,14)15)21-23-9(25)30-5-4(27(28)29)6(20-3-19-5)31-10-24-22-8(26(10)2)12(16,17)18/h3H,1-2H3