(2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H25N5OS MolecularWeight: 383.5104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-3-25-17(16-10-6-4-7-11-16)23-24-19(25)27-15(2)18(26)22-20(14-21)12-8-5-9-13-20/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1