[4-(trifluoromethyl)phenyl]methyl carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)C(F)(F)F

InChI

InChI=1S/C9H9F3N2S/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14/h1-4H,5H2,(H3,13,14)