ethyl 1-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]isonipecotic acid ethyl ester Formula: C16H20N4O3S2 MolecularWeight: 380.485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H20N4O3S2/c1-2-23-15(22)11-5-7-19(8-6-11)13(21)10-20-14(17-18-16(20)24)12-4-3-9-25-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,24)