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

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C9H14F3N5OS MolecularWeight: 297.30057

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1N)C(F)(F)F

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1N)C(F)(F)F

InChI

InChI=1S/C9H14F3N5OS/c1-3-4-14-6(18)5(2)19-8-16-15-7(17(8)13)9(10,11)12/h5H,3-4,13H2,1-2H3,(H,14,18)