4-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H11F6N3O4S MolecularWeight: 467.342359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F6N3O4S/c18-16(19,20)9-4-10(17(21,22)23)6-11(5-9)25-14(27)7-31-13-2-1-8(15(24)28)3-12(13)26(29)30/h1-6H,7H2,(H2,24,28)(H,25,27)