1-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-p-phenetylbenzimidazol-2-yl)thio]ethanone Formula: C27H30N2O2S MolecularWeight: 446.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N2O2S/c1-2-31-22-9-7-21(8-10-22)29-24-6-4-3-5-23(24)28-26(29)32-17-25(30)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,2,11-17H2,1H3