2-(1-adamantyl)-5-bromanyl-1,2-thiazol-3-one

Systemtic Name: 2-(1-adamantyl)-5-bromanyl-1,2-thiazol-3-one Openeye Name: 2-(1-adamantyl)-5-bromo-isothiazol-3-one CAS Name: 2-(1-adamantyl)-5-bromo-3-isothiazolone IUPAC Name: 2-(1-adamantyl)-5-bromo-1,2-thiazol-3-one Traditional Name: 2-(1-adamantyl)-5-bromo-4-isothiazolin-3-one Formula: C13H16BrNOS MolecularWeight: 314.24124

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C=C(S4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C=C(S4)Br

InChI

InChI=1S/C13H16BrNOS/c14-11-4-12(16)15(17-11)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2