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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4OS/c26-19(24-14-8-3-9-15-24)16-27-21-23-22-20(17-10-4-1-5-11-17)25(21)18-12-6-2-7-13-18/h2,6-7,12-13,17H,1,3-5,8-11,14-16H2