1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-chlorophenyl)-1-prop-2-enyl-2-imidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]thio]ethanone Formula: C24H27ClN2OS MolecularWeight: 427.00198

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C=CCN1C(=CN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H27ClN2OS/c1-2-7-27-21(19-3-5-20(25)6-4-19)14-26-23(27)29-15-22(28)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-6,14,16-18H,1,7-13,15H2