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

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4OS/c1-4-19-7-5-6-15(2)21(19)28-20(26-27-23(28)30-3)14-25-22(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h5-7,16-18H,4,8-14H2,1-3H3,(H,25,29)