1-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C19H20ClNOS2 MolecularWeight: 377.9512

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C19H20ClNOS2/c20-14-1-2-16-15(6-14)21-18(24-16)23-10-17(22)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2