2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1,3-benzothiazole CAS Name: 2-[5-[(6-methyl-1H-benzimidazol-2-yl)thio]pentylthio]-1,3-benzothiazole IUPAC Name: 2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[5-[(6-methyl-1H-benzimidazol-2-yl)thio]pentylthio]-1,3-benzothiazole Formula: C20H21N3S3 MolecularWeight: 399.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCCCCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCCCCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3S3/c1-14-9-10-15-17(13-14)22-19(21-15)24-11-5-2-6-12-25-20-23-16-7-3-4-8-18(16)26-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)