3-phenyl-2,5-bis(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-phenyl-2,5-bis(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-phenyl-2,5-bis(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-phenyl-2,5-bis(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-phenyl-2,5-bis(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-phenyl-2,5-bis(2-pyridylmethylthio)quinazolin-4-one Formula: C26H20N4OS2 MolecularWeight: 468.5932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC=C3SCC4=CC=CC=N4)N=C2SCC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC=C3SCC4=CC=CC=N4)N=C2SCC5=CC=CC=N5

InChI

InChI=1S/C26H20N4OS2/c31-25-24-22(13-8-14-23(24)32-17-19-9-4-6-15-27-19)29-26(30(25)21-11-2-1-3-12-21)33-18-20-10-5-7-16-28-20/h1-16H,17-18H2