N-(1-adamantyl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(1-adamantyl)-2-[(1,4-diphenyl-2-imidazolyl)thio]-N-methylacetamide IUPAC Name: N-(1-adamantyl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(1-adamantyl)-2-[(1,4-diphenylimidazol-2-yl)thio]-N-methyl-acetamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(C(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3OS/c1-30(28-15-20-12-21(16-28)14-22(13-20)17-28)26(32)19-33-27-29-25(23-8-4-2-5-9-23)18-31(27)24-10-6-3-7-11-24/h2-11,18,20-22H,12-17,19H2,1H3