3-fluoranyl-4-[(2,3,5-trimethylphenoxy)methyl]benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-[(2,3,5-trimethylphenoxy)methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[(2,3,5-trimethylphenoxy)methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[(2,3,5-trimethylphenoxy)methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[(2,3,5-trimethylphenoxy)methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[(2,3,5-trimethylphenoxy)methyl]thiobenzamide Formula: C17H18FNOS MolecularWeight: 303.394323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=C(C=C(C=C2)C(=S)N)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=C(C=C(C=C2)C(=S)N)F)C)C

InChI

InChI=1S/C17H18FNOS/c1-10-6-11(2)12(3)16(7-10)20-9-14-5-4-13(17(19)21)8-15(14)18/h4-8H,9H2,1-3H3,(H2,19,21)