3-nitro-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3-nitro-benzamide Formula: C16H12F3N3O4S MolecularWeight: 399.34439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O4S/c17-16(18,19)10-2-1-3-11(7-10)21-14(23)8-27-13-5-4-9(15(20)24)6-12(13)22(25)26/h1-7H,8H2,(H2,20,24)(H,21,23)