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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4OS/c1-4-19-7-6-8-20(5-2)22(19)29-21(27-28-24(29)31-3)15-26-23(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h6-8,16-18H,4-5,9-15H2,1-3H3,(H,26,30)