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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 3-(3-isopropoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 3-(3-isopropoxypropyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15(2)28-13-5-12-23-20(25)18-6-3-4-7-19(18)22-21(23)29-14-16-8-10-17(11-9-16)24(26)27/h3-4,6-11,15H,5,12-14H2,1-2H3