2-(4-heptoxyphenyl)-6-hexylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-(4-heptoxyphenyl)-6-hexylsulfanyl-1,3-benzothiazole Openeye Name: 2-(4-heptoxyphenyl)-6-hexylsulfanyl-1,3-benzothiazole CAS Name: 2-(4-heptoxyphenyl)-6-(hexylthio)-1,3-benzothiazole IUPAC Name: 2-(4-heptoxyphenyl)-6-hexylsulfanyl-1,3-benzothiazole Traditional Name: 2-(4-heptoxyphenyl)-6-(hexylthio)-1,3-benzothiazole Formula: C26H35NOS2 MolecularWeight: 441.6922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)SCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)SCCCCCC

InChI

InChI=1S/C26H35NOS2/c1-3-5-7-9-10-18-28-22-14-12-21(13-15-22)26-27-24-17-16-23(20-25(24)30-26)29-19-11-8-6-4-2/h12-17,20H,3-11,18-19H2,1-2H3