2-[(4-azanyl-6-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-3-(4-butylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-3-(4-butylphenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]-3-(4-butylphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)thio]-3-(4-butylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]-3-(4-butylphenyl)quinazolin-4-one Traditional Name: 2-[(4-amino-2-keto-6-nitro-1H-quinolin-3-yl)thio]-3-(4-butylphenyl)quinazolin-4-one Formula: C27H23N5O4S MolecularWeight: 513.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)N

InChI

InChI=1S/C27H23N5O4S/c1-2-3-6-16-9-11-17(12-10-16)31-26(34)19-7-4-5-8-21(19)30-27(31)37-24-23(28)20-15-18(32(35)36)13-14-22(20)29-25(24)33/h4-5,7-15H,2-3,6H2,1H3,(H3,28,29,33)