3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-thiobenzamide Formula: C13H14FN3S MolecularWeight: 263.333763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)C(=S)N)F)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)C(=S)N)F)C

InChI

InChI=1S/C13H14FN3S/c1-8-5-9(2)17(16-8)7-11-6-10(13(15)18)3-4-12(11)14/h3-6H,7H2,1-2H3,(H2,15,18)