2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluoranyl-benzenecarbothioamide

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluoranyl-benzenecarbothioamide Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluoro-benzenecarbothioamide CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluorobenzenecarbothioamide IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluorobenzenecarbothioamide Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-6-fluoro-thiobenzamide Formula: C12H13FN4O2S2 MolecularWeight: 328.385623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NC2=C(C(=CC=C2)F)C(=S)N

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NC2=C(C(=CC=C2)F)C(=S)N

InChI

InChI=1S/C12H13FN4O2S2/c1-6-11(7(2)16-15-6)21(18,19)17-9-5-3-4-8(13)10(9)12(14)20/h3-5,17H,1-2H3,(H2,14,20)(H,15,16)