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

Systemtic Name: N-[[5-(1-phenylethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-benzyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(1-phenylethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-benzyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N4OS/c1-20(25-10-6-3-7-11-25)35-28-32-31-26(33(28)19-21-8-4-2-5-9-21)18-30-27(34)29-15-22-12-23(16-29)14-24(13-22)17-29/h2-11,20,22-24H,12-19H2,1H3,(H,30,34)