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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C26H38N4OS MolecularWeight: 454.67112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H38N4OS/c1-19-14-16-29(17-15-19)23(31)18-32-25-28-27-24(30(25)22-8-6-5-7-9-22)20-10-12-21(13-11-20)26(2,3)4/h10-13,19,22H,5-9,14-18H2,1-4H3