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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(isopropylthio)-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:

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

Isomeric SMILES

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

InChI

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