4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(2-thenyl)-1,2,4-triazole Formula: C15H11F3N4O2S2 MolecularWeight: 400.39865

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C15H11F3N4O2S2/c1-21-13(8-10-3-2-6-25-10)19-20-14(21)26-12-5-4-9(15(16,17)18)7-11(12)22(23)24/h2-7H,8H2,1H3