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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C21H21N5OS2/c1-15(20(27)25(13-6-12-22)16-7-3-2-4-8-16)29-21-24-23-19(18-9-5-14-28-18)26(21)17-10-11-17/h2-5,7-9,14-15,17H,6,10-11,13H2,1H3/t15-/m1/s1