N-[[5-[(2R)-butan-2-yl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-[(2R)-butan-2-yl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-[(1R)-1-methylpropyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[[(2R)-butan-2-yl]thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(2R)-butan-2-yl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[[(1R)-1-methylpropyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H36N4OS MolecularWeight: 404.61244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)CC)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H](C)CC)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H36N4OS/c1-4-6-7-26-19(24-25-21(26)28-15(3)5-2)14-23-20(27)22-11-16-8-17(12-22)10-18(9-16)13-22/h15-18H,4-14H2,1-3H3,(H,23,27)/t15-,16?,17?,18?,22?/m1/s1