2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Formula: C19H15F3N2O2S MolecularWeight: 392.39481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F)SCC(=O)N

InChI

InChI=1S/C19H15F3N2O2S/c20-19(21,22)14-7-3-5-13(11-14)6-4-10-24-18(26)15-8-1-2-9-16(15)27-12-17(23)25/h1-3,5,7-9,11H,10,12H2,(H2,23,25)(H,24,26)