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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-3-17(2)19-11-13-20(14-12-19)27-24(29)22-9-4-5-10-23(22)26-25(27)32-16-18-7-6-8-21(15-18)28(30)31/h4-15,17H,3,16H2,1-2H3