1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone CAS Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylthio)phenoxy]ethanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylthio)phenoxy]ethanone Formula: C26H25NO2S2 MolecularWeight: 447.6122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H25NO2S2/c28-24(26-27-23-12-6-7-13-25(23)31-26)19-29-21-14-16-22(17-15-21)30-18-8-2-5-11-20-9-3-1-4-10-20/h1,3-4,6-7,9-10,12-17H,2,5,8,11,18-19H2