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

Systemtic Name: 4-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C15H15FN6OS MolecularWeight: 346.382603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F

InChI

InChI=1S/C15H15FN6OS/c1-9(18)11(7-17)13(23)8-24-15-21-20-14(22(15)19)6-10-4-2-3-5-12(10)16/h2-5,11,18H,6,8,19H2,1H3