(2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]cyclohexanone Formula: C13H12ClNOS2 MolecularWeight: 297.82348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C13H12ClNOS2/c14-8-5-6-11-9(7-8)15-13(17-11)18-12-4-2-1-3-10(12)16/h5-7,12H,1-4H2/t12-/m0/s1