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

Systemtic Name: ethyl 4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H19N5O2S2 MolecularWeight: 353.46296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C14H19N5O2S2/c1-2-21-14(20)18-7-5-17(6-8-18)10-19-13(22)15-12(16-19)11-4-3-9-23-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,16,22)