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

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C17H13F3N4OS MolecularWeight: 378.37153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N4OS/c18-17(19,20)13-4-6-14(7-5-13)23-15(25)12-3-1-2-11(8-12)9-26-16-21-10-22-24-16/h1-8,10H,9H2,(H,23,25)(H,21,22,24)