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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H20ClN5O4S2 MolecularWeight: 493.9869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O4S2/c21-14-5-3-13(4-6-14)19-23-24-20(31)26(19)12-18(28)22-16-11-15(7-8-17(16)27)32(29,30)25-9-1-2-10-25/h3-8,11,27H,1-2,9-10,12H2,(H,22,28)(H,24,31)