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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS/c1-4-22-15(14-9-6-5-7-10-14)19-20-17(22)24-13(2)16(23)21(3)12-8-11-18/h5-7,9-10,13H,4,8,12H2,1-3H3/t13-/m1/s1