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

Systemtic Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[[2-(1-piperidylmethyl)phenyl]methyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[[2-(1-piperidinylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[2-(piperidinomethyl)benzyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c27-19(15-26-20(23-24-21(26)28)18-9-6-12-29-18)22-13-16-7-2-3-8-17(16)14-25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,27)(H,24,28)