1,3-benzothiazole; 2-hexyl-2-sulfanyl-cyclopentan-1-one

Systemtic Name: 1,3-benzothiazole; 2-hexyl-2-sulfanyl-cyclopentan-1-one Openeye Name: 1,3-benzothiazole; 2-hexyl-2-sulfanyl-cyclopentanone CAS Name: 1,3-benzothiazole; 2-hexyl-2-mercapto-1-cyclopentanone IUPAC Name: 1,3-benzothiazole; 2-hexyl-2-sulfanylcyclopentan-1-one Traditional Name: 1,3-benzothiazole; 2-hexyl-2-mercapto-cyclopentanone Formula: C18H25NOS2 MolecularWeight: 335.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCCC1=O)S.C1=CC=C2C(=C1)N=CS2

Isomeric SMILES

CCCCCCC1(CCCC1=O)S.C1=CC=C2C(=C1)N=CS2

InChI

InChI=1S/C11H20OS.C7H5NS/c1-2-3-4-5-8-11(13)9-6-7-10(11)12;1-2-4-7-6(3-1)8-5-9-7/h13H,2-9H2,1H3;1-5H