N'-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c1-2-3-11-25-20(29)16-9-4-5-10-17(16)22-21(25)32-13-18(27)23-24-19(28)14-7-6-8-15(12-14)26(30)31/h4-10,12H,2-3,11,13H2,1H3,(H,23,27)(H,24,28)