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

Systemtic Name: 2-ethanimidoyl-4-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[1-(3-fluorophenyl)-5-tetrazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[1-(3-fluorophenyl)tetrazol-5-yl]thio]-3-keto-butyronitrile Formula: C13H11FN6OS MolecularWeight: 318.329443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=NN1C2=CC(=CC=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=NN1C2=CC(=CC=C2)F

InChI

InChI=1S/C13H11FN6OS/c1-8(16)11(6-15)12(21)7-22-13-17-18-19-20(13)10-4-2-3-9(14)5-10/h2-5,11,16H,7H2,1H3