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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[(4-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)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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