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

Systemtic Name: 3-(furan-2-yl)-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C14H9F3N4O3S MolecularWeight: 370.30647

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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-])C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C14H9F3N4O3S/c1-20-12(10-3-2-6-24-10)18-19-13(20)25-11-5-4-8(14(15,16)17)7-9(11)21(22)23/h2-7H,1H3