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

Systemtic Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-methyl-3-furyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methyl-3-furanyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-methyl-3-furyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(OC=C3)C

InChI

InChI=1S/C16H13F3N4O3S/c1-3-22-14(11-6-7-26-9(11)2)20-21-15(22)27-13-5-4-10(16(17,18)19)8-12(13)23(24)25/h4-8H,3H2,1-2H3