2-[1-(3-nitrophenyl)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H19N3O4S/c1-13(14-6-4-7-15(12-14)22(25)26)27-19-20-17-9-3-2-8-16(17)18(24)21(19)10-5-11-23/h2-4,6-9,12-13,23H,5,10-11H2,1H3