3-phenylprop-2-ynyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

Systemtic Name: 3-phenylprop-2-ynyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Openeye Name: 3-phenylprop-2-ynyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)OCC#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)OCC#CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c27-22(28-17-7-10-18-8-3-1-4-9-18)26-15-13-25(14-16-26)21-23-20(24-29-21)19-11-5-2-6-12-19/h1-6,8-9,11-12H,13-17H2