2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-6-ethoxy-1,3-benzothiazole

Systemtic Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-6-ethoxy-1,3-benzothiazole Openeye Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-6-ethoxy-1,3-benzothiazole CAS Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-6-ethoxy-1,3-benzothiazole IUPAC Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-6-ethoxy-1,3-benzothiazole Traditional Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-6-ethoxy-1,3-benzothiazole Formula: C21H23N3OS3 MolecularWeight: 429.62182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCCCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCCCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3OS3/c1-2-25-15-10-11-18-19(14-15)28-21(24-18)27-13-7-3-6-12-26-20-22-16-8-4-5-9-17(16)23-20/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,23)