1-(1-adamantyl)-2-(5-ethoxy-1-methyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(5-ethoxy-1-methyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(5-ethoxy-1-methyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(5-ethoxy-1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(5-ethoxy-1-methyl-benzimidazol-2-yl)thio]ethanone Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H28N2O2S/c1-3-26-17-4-5-19-18(9-17)23-21(24(19)2)27-13-20(25)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3