2-[(4-nitrophenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCCO

InChI

InChI=1S/C18H17N3O4S/c22-11-3-10-20-17(23)15-4-1-2-5-16(15)19-18(20)26-12-13-6-8-14(9-7-13)21(24)25/h1-2,4-9,22H,3,10-12H2