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

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H21N5O4S3 MolecularWeight: 479.59614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C19H21N5O4S3/c25-15-6-5-13(31(27,28)23-8-1-2-9-23)12-14(15)20-17(26)7-10-24-18(21-22-19(24)29)16-4-3-11-30-16/h3-6,11-12,25H,1-2,7-10H2,(H,20,26)(H,22,29)