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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-o-cumenyl-quinazolin-4-one Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O3S/c1-16(2)19-10-4-6-13-22(19)26-23(28)20-11-3-5-12-21(20)25-24(26)31-15-17-8-7-9-18(14-17)27(29)30/h3-14,16H,15H2,1-2H3