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

Systemtic Name: 1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(5-chloro-1,3-benzothiazol-2-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(5-chloro-1,3-benzothiazol-2-yl)thio]-3,3-dimethyl-butan-2-one Formula: C13H14ClNOS2 MolecularWeight: 299.83936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C13H14ClNOS2/c1-13(2,3)11(16)7-17-12-15-9-6-8(14)4-5-10(9)18-12/h4-6H,7H2,1-3H3