methyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-methyl-3-[4-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-methyl-3-[4-(trifluoromethyl)phenyl]isothiourea Formula: C9H9F3N2S MolecularWeight: 234.24137

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C9H9F3N2S/c1-15-8(13)14-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H2,13,14)