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

Systemtic Name: 2-(4-heptoxyphenyl)-6-octylsulfanyl-1,3-benzothiazole Openeye Name: 2-(4-heptoxyphenyl)-6-octylsulfanyl-1,3-benzothiazole CAS Name: 2-(4-heptoxyphenyl)-6-(octylthio)-1,3-benzothiazole IUPAC Name: 2-(4-heptoxyphenyl)-6-octylsulfanyl-1,3-benzothiazole Traditional Name: 2-(4-heptoxyphenyl)-6-(octylthio)-1,3-benzothiazole Formula: C28H39NOS2 MolecularWeight: 469.74536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C28H39NOS2/c1-3-5-7-9-11-13-21-31-25-18-19-26-27(22-25)32-28(29-26)23-14-16-24(17-15-23)30-20-12-10-8-6-4-2/h14-19,22H,3-13,20-21H2,1-2H3