3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(3-nitrophenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(3-nitrobenzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3S/c1-3-16(2)18-7-10-20(11-8-18)28-24(30)22-12-9-19(26)14-23(22)27-25(28)33-15-17-5-4-6-21(13-17)29(31)32/h4-14,16H,3,15H2,1-2H3