2-[[6-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[[6-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[[6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-pyridyl]methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[[6-[(1,3-benzoxazol-2-ylthio)methyl]-2-pyridinyl]methylthio]-1,3-benzoxazole IUPAC Name: 2-[[6-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[[6-[(1,3-benzoxazol-2-ylthio)methyl]-2-pyridyl]methylthio]-1,3-benzoxazole Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H15N3O2S2/c1-3-10-18-16(8-1)23-20(25-18)27-12-14-6-5-7-15(22-14)13-28-21-24-17-9-2-4-11-19(17)26-21/h1-11H,12-13H2