1-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethanone Formula: C18H20Cl2OS MolecularWeight: 355.3218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H20Cl2OS/c19-15-2-1-14(6-16(15)20)22-10-17(21)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2