[2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N'-methylcarbamimidothioate

Systemtic Name: [2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]isothiourea CAS Name: N'-methylcarbamimidothioic acid [2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl] ester IUPAC Name: [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N'-methylcarbamimidothioate Traditional Name: 2-[2-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-3-methyl-isothiourea Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SC1CCN(C1=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CN=C(N)SC1CCN(C1=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3OS/c1-18-12(17)21-10-5-6-19(11(10)20)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,10H,5-6H2,1H3,(H2,17,18)