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

Systemtic Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butylthio)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(butylthio)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H31ClN4OS MolecularWeight: 459.04714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31ClN4OS/c1-2-3-8-31-23-28-27-21(29(23)20-7-5-4-6-19(20)25)15-26-22(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18H,2-3,8-15H2,1H3,(H,26,30)