(2-azanyl-2-oxidanylidene-ethyl) N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanylacetamide CAS Name: N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-[[N-cyano-N'-[3-(trifluoromethyl)phenyl]amidino]thio]acetamide Formula: C11H9F3N4OS MolecularWeight: 302.27557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C(NC#N)SCC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N=C(NC#N)SCC(=O)N)C(F)(F)F

InChI

InChI=1S/C11H9F3N4OS/c12-11(13,14)7-2-1-3-8(4-7)18-10(17-6-15)20-5-9(16)19/h1-4H,5H2,(H2,16,19)(H,17,18)