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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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