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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H38N4OS MolecularWeight: 466.68182

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCSC1=NN=C(N1C2=C(C=CC=C2CC)CC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4OS/c1-4-10-33-26-30-29-23(31(26)24-21(5-2)8-7-9-22(24)6-3)17-28-25(32)27-14-18-11-19(15-27)13-20(12-18)16-27/h7-9,18-20H,4-6,10-17H2,1-3H3,(H,28,32)