2-hexylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride

Systemtic Name: 2-hexylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride Openeye Name: 2-hexylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride CAS Name: 2-(hexylthio)-1,3-benzothiazole-6-sulfonyl chloride IUPAC Name: 2-hexylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride Traditional Name: 2-(hexylthio)-1,3-benzothiazole-6-sulfonyl chloride Formula: C13H16ClNO2S3 MolecularWeight: 349.91964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C13H16ClNO2S3/c1-2-3-4-5-8-18-13-15-11-7-6-10(20(14,16)17)9-12(11)19-13/h6-7,9H,2-5,8H2,1H3