4-methyl-3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C14H14F3N5O4S2 MolecularWeight: 437.41727

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C(F)(F)F

InChI

InChI=1S/C14H14F3N5O4S2/c1-20-12(14(15,16)17)18-19-13(20)27-10-5-4-9(22(23)24)8-11(10)28(25,26)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3