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

Systemtic Name: N-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3-(1-pyrrolidinylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(pyrrolidinomethyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C19H21N5OS2/c25-17(13-24-18(21-22-19(24)26)16-7-4-10-27-16)20-15-6-3-5-14(11-15)12-23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12-13H2,(H,20,25)(H,22,26)