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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzyl]thio]-1,3-benzothiazole Formula: C22H16N2S4 MolecularWeight: 436.63584

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2S4/c1-3-7-19-17(5-1)23-21(27-19)25-13-15-9-11-16(12-10-15)14-26-22-24-18-6-2-4-8-20(18)28-22/h1-12H,13-14H2