N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butylthio)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(butylthio)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H40N4OS MolecularWeight: 480.7084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40N4OS/c1-4-7-11-34-27-31-30-24(32(27)25-22(5-2)9-8-10-23(25)6-3)18-29-26(33)28-15-19-12-20(16-28)14-21(13-19)17-28/h8-10,19-21H,4-7,11-18H2,1-3H3,(H,29,33)