methyl N'-[2,4,6-tris(fluoranyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[2,4,6-tris(fluoranyl)phenyl]carbamimidothioate Openeye Name: 2-methyl-3-(2,4,6-trifluorophenyl)isothiourea CAS Name: N'-(2,4,6-trifluorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,4,6-trifluorophenyl)carbamimidothioate Traditional Name: 2-methyl-3-(2,4,6-trifluorophenyl)isothiourea Formula: C8H7F3N2S MolecularWeight: 220.21479

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C=C(C=C1F)F)F)N

Isomeric SMILES

CSC(=NC1=C(C=C(C=C1F)F)F)N

InChI

InChI=1S/C8H7F3N2S/c1-14-8(12)13-7-5(10)2-4(9)3-6(7)11/h2-3H,1H3,(H2,12,13)