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

Systemtic Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-14(22)17(12-21)18(26)13-27-20-23-19(15-8-4-2-5-9-15)25(24-20)16-10-6-3-7-11-16/h3,6-7,10-11,15,17,22H,2,4-5,8-9,13H2,1H3