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

Systemtic Name: ethyl 4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)imino]piperidine-1-carboxylate CAS Name: 4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]piperidine-1-carboxylate Traditional Name: 4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)imino]piperidine-1-carboxylic acid ethyl ester Formula: C12H19N5O2S MolecularWeight: 297.37656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=C2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=NNC(=S)N1N=C2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C12H19N5O2S/c1-3-10-13-14-11(20)17(10)15-9-5-7-16(8-6-9)12(18)19-4-2/h3-8H2,1-2H3,(H,14,20)