2-[1-(1,3-benzothiazol-2-ylsulfanyl)-2-bromanyl-ethyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)-2-bromanyl-ethyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)-2-bromo-ethyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[1-(1,3-benzothiazol-2-ylthio)-2-bromoethyl]thio]-1,3-benzothiazole IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)-2-bromoethyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[1-(1,3-benzothiazol-2-ylthio)-2-bromo-ethyl]thio]-1,3-benzothiazole Formula: C16H11BrN2S4 MolecularWeight: 439.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(CBr)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(CBr)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11BrN2S4/c17-9-14(22-15-18-10-5-1-3-7-12(10)20-15)23-16-19-11-6-2-4-8-13(11)21-16/h1-8,14H,9H2