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

Systemtic Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzamide Formula: C11H8F3N5O3S MolecularWeight: 347.27313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3N5O3S/c1-18-9(11(12,13)14)16-17-10(18)23-7-3-2-5(8(15)20)4-6(7)19(21)22/h2-4H,1H3,(H2,15,20)