methyl N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-isothiourea CAS Name: N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-isothiourea Formula: C10H8F6N2S MolecularWeight: 302.239339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8F6N2S/c1-19-8(17)18-7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4H,1H3,(H2,17,18)