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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(1-phenylethylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H36N4O2S/c1-3-36-26-11-9-25(10-12-26)34-27(32-33-29(34)37-20(2)24-7-5-4-6-8-24)19-31-28(35)30-16-21-13-22(17-30)15-23(14-21)18-30/h4-12,20-23H,3,13-19H2,1-2H3,(H,31,35)