3-(4-butylphenyl)-2-(2-chloranyl-4-nitro-phenyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butylphenyl)-2-(2-chloranyl-4-nitro-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-butylphenyl)-2-(2-chloro-4-nitro-phenyl)sulfanyl-quinazolin-4-one CAS Name: 3-(4-butylphenyl)-2-[(2-chloro-4-nitrophenyl)thio]-4-quinazolinone IUPAC Name: 3-(4-butylphenyl)-2-(2-chloro-4-nitrophenyl)sulfanylquinazolin-4-one Traditional Name: 3-(4-butylphenyl)-2-[(2-chloro-4-nitro-phenyl)thio]quinazolin-4-one Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H20ClN3O3S/c1-2-3-6-16-9-11-17(12-10-16)27-23(29)19-7-4-5-8-21(19)26-24(27)32-22-14-13-18(28(30)31)15-20(22)25/h4-5,7-15H,2-3,6H2,1H3