N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(2-methylol-1,3-benzothiazol-5-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H13F3N4O2S MolecularWeight: 418.39233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)SC(=N4)CO)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)SC(=N4)CO)C(F)(F)F

InChI

InChI=1S/C19H13F3N4O2S/c20-19(21,22)17-13(9-23-26(17)12-4-2-1-3-5-12)18(28)24-11-6-7-15-14(8-11)25-16(10-27)29-15/h1-9,27H,10H2,(H,24,28)