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

Systemtic Name: ethyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H21N5O3S2/c1-2-24-16(23)20-9-7-19(8-10-20)13(22)5-6-21-14(17-18-15(21)25)12-4-3-11-26-12/h3-4,11H,2,5-10H2,1H3,(H,18,25)