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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c1-16-9-11-17(12-10-16)14-25-22(27)20-7-2-3-8-21(20)24-23(25)30-15-18-5-4-6-19(13-18)26(28)29/h2-13H,14-15H2,1H3