N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]propanamide

Systemtic Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]propanamide Openeye Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide CAS Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide Traditional Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(trifluoromethoxy)benzyl]propionamide Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C21H21F3N4O2S/c1-14-6-5-8-15(12-14)19-25-26-20(31)28(19)11-10-18(29)27(2)13-16-7-3-4-9-17(16)30-21(22,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,26,31)