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

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(isopropylthio)-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:

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

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