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

Systemtic Name: N-[[4-ethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-ethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-ethyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-ethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-ethyl-5-(1-phenylethylthio)-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:

CCN1C(=NN=C1SC(C)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4OS/c1-3-28-21(26-27-23(28)30-16(2)20-7-5-4-6-8-20)15-25-22(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-8,16-19H,3,9-15H2,1-2H3,(H,25,29)