2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide

Systemtic Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C15H17F3N4OS MolecularWeight: 358.38189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C)C(F)(F)F

InChI

InChI=1S/C15H17F3N4OS/c1-10(12(23)19-9-8-11-6-4-3-5-7-11)24-14-21-20-13(22(14)2)15(16,17)18/h3-7,10H,8-9H2,1-2H3,(H,19,23)