3-phenylsulfanyl-4,7-bis(pyridin-3-ylmethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-phenylsulfanyl-4,7-bis(pyridin-3-ylmethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-phenylsulfanyl-4,7-bis(3-pyridylmethoxy)-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(phenylthio)-4,7-bis(3-pyridinylmethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-phenylsulfanyl-4,7-bis(pyridin-3-ylmethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-(phenylthio)-4,7-bis(3-pyridylmethoxy)-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2S1(=O)=O)OCC3=CN=CC=C3)OCC4=CN=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C(C2=C(C=CC(=C2S1(=O)=O)OCC3=CN=CC=C3)OCC4=CN=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S2/c29-34(30)18-24(33-21-8-2-1-3-9-21)25-22(31-16-19-6-4-12-27-14-19)10-11-23(26(25)34)32-17-20-7-5-13-28-15-20/h1-15,24H,16-18H2