N-(2-cyanoethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H24N6O3S2 MolecularWeight: 496.60506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCCC#N

InChI

InChI=1S/C23H24N6O3S2/c24-12-7-13-25-21(30)17-33-23-27-26-22(29(23)19-9-2-1-3-10-19)18-8-6-11-20(16-18)34(31,32)28-14-4-5-15-28/h1-3,6,8-11,16H,4-5,7,13-15,17H2,(H,25,30)