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

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(m-tolylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(3-methylbenzyl)thio]-4-phenethyl-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:

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

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