3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H14ClNOS2 MolecularWeight: 323.86076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)SC2=NC3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)SC2=NC3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C15H14ClNOS2/c1-15(2)7-10(18)6-11(8-15)19-14-17-12-5-9(16)3-4-13(12)20-14/h3-6H,7-8H2,1-2H3