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

Systemtic Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C12H10F3N5O3S MolecularWeight: 361.29971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H10F3N5O3S/c1-19-10(12(13,14)15)17-18-11(19)24-5-7-3-2-6(9(16)21)4-8(7)20(22)23/h2-4H,5H2,1H3,(H2,16,21)