N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-(trifluoromethyl)benzamide Formula: C13H8F3N3OS2 MolecularWeight: 343.34733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)CN=C=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)CN=C=S)C(F)(F)F

InChI

InChI=1S/C13H8F3N3OS2/c14-13(15,16)9-3-1-8(2-4-9)11(20)19-12-18-10(6-22-12)5-17-7-21/h1-4,6H,5H2,(H,18,19,20)