4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C9H9F3N6OS MolecularWeight: 306.26757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C(F)(F)F

InChI

InChI=1S/C9H9F3N6OS/c1-4(14)5(2-13)6(19)3-20-8-17-16-7(18(8)15)9(10,11)12/h5,14H,3,15H2,1H3