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

Systemtic Name: 4-methyl-3-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-methyl-5-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-methyl-5-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C17H13F3N4O2S MolecularWeight: 394.37093

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C17H13F3N4O2S/c1-23-15(9-11-5-3-2-4-6-11)21-22-16(23)27-14-8-7-12(24(25)26)10-13(14)17(18,19)20/h2-8,10H,9H2,1H3