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

Systemtic Name: N-[[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide CAS Name: N-[[[3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Traditional Name: N-[[3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C12H10F3N5OS2 MolecularWeight: 361.36591

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3N5OS2/c1-23-11-18-17-9(12(13,14)15)20(11)19-10(22)16-8(21)7-5-3-2-4-6-7/h2-6H,1H3,(H2,16,19,21,22)