2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C22H24ClN5OS MolecularWeight: 441.97686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5OS/c23-18-10-8-17(9-11-18)21-25-26-22(30)28(21)15-20(29)24-14-19(27-12-4-5-13-27)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,24,29)(H,26,30)