2-cyano-N-(4-isothiocyanatophenyl)-3-oxidanylidene-3-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-cyano-N-(4-isothiocyanatophenyl)-3-oxidanylidene-3-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-cyano-N-(4-isothiocyanatophenyl)-3-oxo-3-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 2-cyano-N-(4-isothiocyanatophenyl)-3-oxo-3-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-cyano-N-(4-isothiocyanatophenyl)-3-oxo-3-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-cyano-N-(4-isothiocyanatophenyl)-3-keto-3-[4-(trifluoromethyl)phenyl]propionamide Formula: C18H10F3N3O2S MolecularWeight: 389.35111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(C#N)C(=O)NC2=CC=C(C=C2)N=C=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(C#N)C(=O)NC2=CC=C(C=C2)N=C=S)C(F)(F)F

InChI

InChI=1S/C18H10F3N3O2S/c19-18(20,21)12-3-1-11(2-4-12)16(25)15(9-22)17(26)24-14-7-5-13(6-8-14)23-10-27/h1-8,15H,(H,24,26)