2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methylpiperidino)ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H30N4OS/c1-17-10-8-9-15-25(17)20(27)16-28-22-24-23-21(18-11-4-2-5-12-18)26(22)19-13-6-3-7-14-19/h3,6-7,13-14,17-18H,2,4-5,8-12,15-16H2,1H3