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

Systemtic Name: 1,3-benzothiazole; 2-pentyl-2-sulfanyl-cyclopentan-1-one Openeye Name: 1,3-benzothiazole; 2-pentyl-2-sulfanyl-cyclopentanone CAS Name: 1,3-benzothiazole; 2-mercapto-2-pentyl-1-cyclopentanone IUPAC Name: 1,3-benzothiazole; 2-pentyl-2-sulfanylcyclopentan-1-one Traditional Name: 2-amyl-2-mercapto-cyclopentanone; 1,3-benzothiazole Formula: C17H23NOS2 MolecularWeight: 321.50062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCCC1=O)S.C1=CC=C2C(=C1)N=CS2

Isomeric SMILES

CCCCCC1(CCCC1=O)S.C1=CC=C2C(=C1)N=CS2

InChI

InChI=1S/C10H18OS.C7H5NS/c1-2-3-4-7-10(12)8-5-6-9(10)11;1-2-4-7-6(3-1)8-5-9-7/h12H,2-8H2,1H3;1-5H