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

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=CN2C3=CC=CC=C3)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C17H22N4OS/c1-13-7-6-8-14(2)21(13)16(22)11-23-17-19-18-12-20(17)15-9-4-3-5-10-15/h3-5,9-10,12-14H,6-8,11H2,1-2H3