3-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanylidene-pyrazolidine-1-carbothioamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanylidene-pyrazolidine-1-carbothioamide Openeye Name: 3-[(4-fluorophenyl)methyl]-2-methyl-5-oxo-pyrazolidine-1-carbothioamide CAS Name: 3-[(4-fluorophenyl)methyl]-2-methyl-5-oxo-1-pyrazolidinecarbothioamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrazolidine-1-carbothioamide Traditional Name: 3-(4-fluorobenzyl)-5-keto-2-methyl-pyrazolidine-1-carbothioamide Formula: C12H14FN3OS MolecularWeight: 267.322463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)N1C(=S)N)CC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(CC(=O)N1C(=S)N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FN3OS/c1-15-10(7-11(17)16(15)12(14)18)6-8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H2,14,18)