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

Systemtic Name: 2-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]phenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]phenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]benzyl]thio]-1,3-benzothiazole Formula: C28H20N2S4 MolecularWeight: 512.7318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H20N2S4/c1-3-7-25-23(5-1)29-27(33-25)31-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-32-28-30-24-6-2-4-8-26(24)34-28/h1-16H,17-18H2