S-(4-oxidanylpyrazolidin-1-yl) N-(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamothioate

Systemtic Name: S-(4-oxidanylpyrazolidin-1-yl) N-(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamothioate Openeye Name: S-(4-hydroxypyrazolidin-1-yl) N-(4-chloro-2-fluoro-5-isopropoxy-phenyl)carbamothioate CAS Name: N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamothioic acid S-[(4-hydroxy-1-pyrazolidinyl)] ester IUPAC Name: S-(4-hydroxypyrazolidin-1-yl) N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamothioate Traditional Name: N-(4-chloro-2-fluoro-5-isopropoxy-phenyl)thiocarbamic acid S-(4-hydroxypyrazolidin-1-yl) ester Formula: C13H17ClFN3O3S MolecularWeight: 349.808783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)NC(=O)SN2CC(CN2)O)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)NC(=O)SN2CC(CN2)O)F)Cl

InChI

InChI=1S/C13H17ClFN3O3S/c1-7(2)21-12-4-11(10(15)3-9(12)14)17-13(20)22-18-6-8(19)5-16-18/h3-4,7-8,16,19H,5-6H2,1-2H3,(H,17,20)