3-(methylsulfanylmethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Openeye Name: 3-(methylsulfanylmethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: 3-[(methylthio)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Traditional Name: 3-[(methylthio)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C12H11F3N4OS MolecularWeight: 316.30215

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C12H11F3N4OS/c1-21-6-7-3-2-4-8(5-7)9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)