methyl N,N'-bis[2,3,4-tris(fluoranyl)phenyl]carbamimidothioate

Systemtic Name: methyl N,N'-bis[2,3,4-tris(fluoranyl)phenyl]carbamimidothioate Openeye Name: 2-methyl-1,3-bis(2,3,4-trifluorophenyl)isothiourea CAS Name: N,N'-bis(2,3,4-trifluorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis(2,3,4-trifluorophenyl)carbamimidothioate Traditional Name: 2-methyl-1,3-bis(2,3,4-trifluorophenyl)isothiourea Formula: C14H8F6N2S MolecularWeight: 350.282139

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C(=C(C=C1)F)F)F)NC2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

CSC(=NC1=C(C(=C(C=C1)F)F)F)NC2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C14H8F6N2S/c1-23-14(21-8-4-2-6(15)10(17)12(8)19)22-9-5-3-7(16)11(18)13(9)20/h2-5H,1H3,(H,21,22)