2-[2-(3-nitrophenoxy)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-nitrophenoxy)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[2-(3-nitrophenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[2-(3-nitrophenoxy)ethylthio]quinazolin-4-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])CCCO

InChI

InChI=1S/C19H19N3O5S/c23-10-4-9-21-18(24)16-7-1-2-8-17(16)20-19(21)28-12-11-27-15-6-3-5-14(13-15)22(25)26/h1-3,5-8,13,23H,4,9-12H2