3-butyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-3-4-11-23-20(26)16-7-5-6-8-17(16)22-21(23)29-13-19(25)15-10-9-14(2)18(12-15)24(27)28/h5-10,12H,3-4,11,13H2,1-2H3