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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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