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

Systemtic Name: 2-[2-(3-nitrophenoxy)ethylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3-nitrophenoxy)ethylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[2-(3-nitrophenoxy)ethylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(3-nitrophenoxy)ethylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[2-(3-nitrophenoxy)ethylthio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c25-20-18-8-1-2-9-19(18)22-21(23(20)14-17-7-4-10-28-17)30-12-11-29-16-6-3-5-15(13-16)24(26)27/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2