N-[[4-(2-ethyl-6-methyl-phenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4OS/c1-4-9-32-25-29-28-22(30(25)23-17(3)7-6-8-21(23)5-2)16-27-24(31)26-13-18-10-19(14-26)12-20(11-18)15-26/h6-8,18-20H,4-5,9-16H2,1-3H3,(H,27,31)