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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5OS/c1-3-26-20(18-11-6-4-7-12-18)24-25-22(26)29-17(2)21(28)27(16-10-15-23)19-13-8-5-9-14-19/h4-9,11-14,17H,3,10,16H2,1-2H3/t17-/m1/s1