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

Systemtic Name: 4-[[4-azanyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C14H13FN6OS MolecularWeight: 332.356023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2F

InChI

InChI=1S/C14H13FN6OS/c1-8(17)10(6-16)12(22)7-23-14-20-19-13(21(14)18)9-4-2-3-5-11(9)15/h2-5,10,17H,7,18H2,1H3