[2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] carbamimidothioate

Systemtic Name: [2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] carbamimidothioate Openeye Name: 2-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]isothiourea CAS Name: carbamimidothioic acid [2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl] ester IUPAC Name: [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] carbamimidothioate Traditional Name: 2-[2-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]isothiourea Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1SC(=N)N)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(C(=O)C1SC(=N)N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3OS/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(10(18)19)20-11(16)17/h1-3,6,9H,4-5H2,(H3,16,17)