2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C22H32N4OS MolecularWeight: 400.58068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC)SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H32N4OS/c1-15(20(27)23-5)28-21-25-24-19(26(21)18-9-7-6-8-10-18)16-11-13-17(14-12-16)22(2,3)4/h11-15,18H,6-10H2,1-5H3,(H,23,27)