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

Systemtic Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N4O2S/c33-24(22-7-3-1-4-8-22)18-35-27-31-30-25(32(27)23-9-5-2-6-10-23)17-29-26(34)28-14-19-11-20(15-28)13-21(12-19)16-28/h1,3-4,7-8,19-21,23H,2,5-6,9-18H2,(H,29,34)