1-(2,6-dimethylpiperidin-1-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-16-7-6-8-17(2)25(16)19(27)15-29-21-23-22-20(24-11-13-28-14-12-24)26(21)18-9-4-3-5-10-18/h3-5,9-10,16-17H,6-8,11-15H2,1-2H3