methyl N-cyano-N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(2,2,2-trifluoroethyl)isothiourea CAS Name: N-cyano-N'-(2,2,2-trifluoroethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(2,2,2-trifluoroethyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(2,2,2-trifluoroethyl)isothiourea Formula: C5H6F3N3S MolecularWeight: 197.18145

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC(F)(F)F)NC#N

Isomeric SMILES

CSC(=NCC(F)(F)F)NC#N

InChI

InChI=1S/C5H6F3N3S/c1-12-4(11-3-9)10-2-5(6,7)8/h2H2,1H3,(H,10,11)