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

Systemtic Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c27-19(9-12-26-20(23-24-21(26)28)18-8-5-13-29-18)22-14-16-6-1-2-7-17(16)15-25-10-3-4-11-25/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,22,27)(H,24,28)