2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzonitrile Formula: C11H6F3N5O2S MolecularWeight: 329.25785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6F3N5O2S/c1-18-9(11(12,13)14)16-17-10(18)22-8-3-2-7(19(20)21)4-6(8)5-15/h2-4H,1H3