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

Systemtic Name: 3-hexyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c1-2-3-4-7-14-23-20(25)18-8-5-6-9-19(18)22-21(23)28-15-16-10-12-17(13-11-16)24(26)27/h5-6,8-13H,2-4,7,14-15H2,1H3