2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-[4-(trifluoromethyloxy)phenyl]carbamate

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-[4-(trifluoromethyloxy)phenyl]carbamate Openeye Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl N-[4-(trifluoromethoxy)phenyl]carbamate CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid 2-[(4-cyano-2-nitrophenyl)thio]ethyl ester IUPAC Name: 2-(4-cyano-2-nitrophenyl)sulfanylethyl N-[4-(trifluoromethoxy)phenyl]carbamate Traditional Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid 2-[(4-cyano-2-nitro-phenyl)thio]ethyl ester Formula: C17H12F3N3O5S MolecularWeight: 427.35449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C17H12F3N3O5S/c18-17(19,20)28-13-4-2-12(3-5-13)22-16(24)27-7-8-29-15-6-1-11(10-21)9-14(15)23(25)26/h1-6,9H,7-8H2,(H,22,24)