4-methyl-3-(phenylmethyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-carboximidothioate

Systemtic Name: 4-methyl-3-(phenylmethyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-carboximidothioate Openeye Name: 3-benzyl-4-methyl-N-[4-(trifluoromethyl)phenyl]thiazol-3-ium-2-carboximidothioate CAS Name: 4-methyl-3-(phenylmethyl)-N-[4-(trifluoromethyl)phenyl]-2-thiazol-3-iumcarboximidothioate IUPAC Name: 3-benzyl-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-carboximidothioate Traditional Name: 3-benzyl-4-methyl-N-[4-(trifluoromethyl)phenyl]thiazol-3-ium-2-carboximidothioate Formula: C19H15F3N2S2 MolecularWeight: 392.46101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CC2=CC=CC=C2)C(=NC3=CC=C(C=C3)C(F)(F)F)[S-]

Isomeric SMILES

CC1=CSC(=[N+]1CC2=CC=CC=C2)C(=NC3=CC=C(C=C3)C(F)(F)F)[S-]

InChI

InChI=1S/C19H15F3N2S2/c1-13-12-26-18(24(13)11-14-5-3-2-4-6-14)17(25)23-16-9-7-15(8-10-16)19(20,21)22/h2-10,12H,11H2,1H3