N-(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-4-oxidanyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-4-oxidanyl-pyrazolidine-1-carbothioamide Openeye Name: N-(4-chloro-2-fluoro-5-isopropoxy-phenyl)-4-hydroxy-pyrazolidine-1-carbothioamide CAS Name: N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-hydroxy-1-pyrazolidinecarbothioamide IUPAC Name: N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-hydroxypyrazolidine-1-carbothioamide Traditional Name: N-(4-chloro-2-fluoro-5-isopropoxy-phenyl)-4-hydroxy-pyrazolidine-1-carbothioamide Formula: C13H17ClFN3O2S MolecularWeight: 333.809383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)NC(=S)N2CC(CN2)O)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)NC(=S)N2CC(CN2)O)F)Cl

InChI

InChI=1S/C13H17ClFN3O2S/c1-7(2)20-12-4-11(10(15)3-9(12)14)17-13(21)18-6-8(19)5-16-18/h3-4,7-8,16,19H,5-6H2,1-2H3,(H,17,21)