N-aminocarbonyl-2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C9H13F3N6O2S MolecularWeight: 326.29873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1N)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1N)C(F)(F)F

InChI

InChI=1S/C9H13F3N6O2S/c1-3(2)4(5(19)15-7(13)20)21-8-17-16-6(18(8)14)9(10,11)12/h3-4H,14H2,1-2H3,(H3,13,15,19,20)