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

Systemtic Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H30N4O2S/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/h1-10,19-21H,11-18H2,(H,29,34)