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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O3S/c1-14-18(23)6-4-8-20(14)25-21(27)17-5-2-3-7-19(17)24-22(25)30-13-15-9-11-16(12-10-15)26(28)29/h2-12H,13H2,1H3