2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloranyl-phenyl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloranyl-phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloro-phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-chlorophenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chlorophenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-chloro-benzyl]thio]-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(=C(C=C3)CSC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=C(C=C3)CSC4=NC5=CC=CC=C5S4)Cl

InChI

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