5-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]isophthalamide Formula: C17H13F3N4O5S MolecularWeight: 442.36913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C17H13F3N4O5S/c18-17(19,20)10-1-2-13(12(6-10)24(28)29)30-7-14(25)23-11-4-8(15(21)26)3-9(5-11)16(22)27/h1-6H,7H2,(H2,21,26)(H2,22,27)(H,23,25)