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

Systemtic Name: ethyl 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate CAS Name: 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate Traditional Name: 4-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylic acid ethyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCC1=NNC(=S)N1C2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C13H22N4O2S/c1-3-5-11-14-15-12(20)17(11)10-6-8-16(9-7-10)13(18)19-4-2/h10H,3-9H2,1-2H3,(H,15,20)