2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-5-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-5-chloranyl-1,3-benzothiazole Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-5-chloro-1,3-benzothiazole CAS Name: 2-[[3-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]methylthio]-5-chloro-1,3-benzothiazole IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-5-chloro-1,3-benzothiazole Traditional Name: 2-[[3-[(1,3-benzothiazol-2-ylthio)methyl]benzyl]thio]-5-chloro-1,3-benzothiazole Formula: C22H15ClN2S4 MolecularWeight: 471.0809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)CSC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)CSC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C22H15ClN2S4/c23-16-8-9-20-18(11-16)25-22(29-20)27-13-15-5-3-4-14(10-15)12-26-21-24-17-6-1-2-7-19(17)28-21/h1-11H,12-13H2