5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-8-nitro-isoquinoline

Systemtic Name: 5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-8-nitro-isoquinoline Openeye Name: 5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-8-nitro-isoquinoline CAS Name: 5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-8-nitroisoquinoline IUPAC Name: 5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-8-nitroisoquinoline Traditional Name: 5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-8-nitro-isoquinoline Formula: C13H8F3N5O2S MolecularWeight: 355.29513

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H8F3N5O2S/c1-20-11(13(14,15)16)18-19-12(20)24-10-3-2-9(21(22)23)8-6-17-5-4-7(8)10/h2-6H,1H3