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

Systemtic Name: 6-dodecylsulfanyl-2-(4-heptoxyphenyl)-1,3-benzothiazole Openeye Name: 6-dodecylsulfanyl-2-(4-heptoxyphenyl)-1,3-benzothiazole CAS Name: 6-(dodecylthio)-2-(4-heptoxyphenyl)-1,3-benzothiazole IUPAC Name: 6-dodecylsulfanyl-2-(4-heptoxyphenyl)-1,3-benzothiazole Traditional Name: 2-(4-heptoxyphenyl)-6-(laurylthio)-1,3-benzothiazole Formula: C32H47NOS2 MolecularWeight: 525.85168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C32H47NOS2/c1-3-5-7-9-10-11-12-13-15-17-25-35-29-22-23-30-31(26-29)36-32(33-30)27-18-20-28(21-19-27)34-24-16-14-8-6-4-2/h18-23,26H,3-17,24-25H2,1-2H3