2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C21H21N5O2S2/c27-18(22-14-5-7-15(8-6-14)25-11-1-4-19(25)28)13-30-21-24-23-20(17-3-2-12-29-17)26(21)16-9-10-16/h2-3,5-8,12,16H,1,4,9-11,13H2,(H,22,27)