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

Systemtic Name: 3-(3-methoxypropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxypropyl)-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C20H21N3O4S/c1-14(15-7-5-8-16(13-15)23(25)26)28-20-21-18-10-4-3-9-17(18)19(24)22(20)11-6-12-27-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3