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

Systemtic Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN5OS/c1-13(23)16(11-22)18(27)12-28-20-25-24-19(15-9-5-6-10-17(15)21)26(20)14-7-3-2-4-8-14/h5-6,9-10,14,16,23H,2-4,7-8,12H2,1H3