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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(benzylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N4O2S/c1-34-24-10-6-5-9-23(24)32-25(30-31-27(32)35-18-19-7-3-2-4-8-19)17-29-26(33)28-14-20-11-21(15-28)13-22(12-20)16-28/h2-10,20-22H,11-18H2,1H3,(H,29,33)