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

Systemtic Name: N'-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5S/c26-17(22-23-18(27)12-4-3-5-14(10-12)25(29)30)11-31-20-21-16-7-2-1-6-15(16)19(28)24(20)13-8-9-13/h1-7,10,13H,8-9,11H2,(H,22,26)(H,23,27)