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

Systemtic Name: N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-phenethyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-phenethyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H36N4OS/c1-21(26-10-6-3-7-11-26)36-29-33-32-27(34(29)13-12-22-8-4-2-5-9-22)20-31-28(35)30-17-23-14-24(18-30)16-25(15-23)19-30/h2-11,21,23-25H,12-20H2,1H3,(H,31,35)