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

Systemtic Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1,2,4-triazole Formula: C16H11F3N4O2S MolecularWeight: 380.34435

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N4O2S/c1-22-14(10-5-3-2-4-6-10)20-21-15(22)26-13-8-7-11(16(17,18)19)9-12(13)23(24)25/h2-9H,1H3