N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-28-21-25-24-19(26(21)14-15-5-3-2-4-6-15)13-23-20(27)22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,16-18H,7-14H2,1H3,(H,23,27)