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

Systemtic Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[[2-(1-piperidylmethyl)phenyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[2-(1-piperidinylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(piperidinomethyl)benzyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H27N5OS2/c28-20(10-13-27-21(24-25-22(27)29)19-9-6-14-30-19)23-15-17-7-2-3-8-18(17)16-26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,23,28)(H,25,29)