3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N3O3S/c1-15-11-16(2)13-19(12-15)25-22(27)20-5-3-4-6-21(20)24-23(25)30-14-17-7-9-18(10-8-17)26(28)29/h3-13H,14H2,1-2H3