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

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H19N5O4S3 MolecularWeight: 465.56956

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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=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C18H19N5O4S3/c24-14-6-5-12(30(26,27)22-7-1-2-8-22)10-13(14)19-16(25)11-23-17(20-21-18(23)28)15-4-3-9-29-15/h3-6,9-10,24H,1-2,7-8,11H2,(H,19,25)(H,21,28)