N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(3-acetamido-4-fluorophenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C17H13F4N3O4S MolecularWeight: 431.361433

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C17H13F4N3O4S/c1-9(25)22-13-7-11(3-4-12(13)18)23-16(26)8-29-15-5-2-10(17(19,20)21)6-14(15)24(27)28/h2-7H,8H2,1H3,(H,22,25)(H,23,26)