2-(1-adamantyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3OS2/c1-14-2-4-15(5-3-14)13-27-21-25-24-20(28-21)23-19(26)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,16-18H,6-13H2,1H3,(H,23,24,26)