(2E)-2-[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]-sulfanyl-methylidene]-1H-quinazolin-4-one

Systemtic Name: (2E)-2-[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]-sulfanyl-methylidene]-1H-quinazolin-4-one Openeye Name: (2E)-2-[[(E)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-sulfanyl-methylene]-1H-quinazolin-4-one CAS Name: (2E)-2-[mercapto-[(E)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)amino]methylidene]-1H-quinazolin-4-one IUPAC Name: (2E)-2-[[(E)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-sulfanylmethylidene]-1H-quinazolin-4-one Traditional Name: (2E)-2-[[(E)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)amino]-mercapto-methylene]-1H-quinazolin-4-one Formula: C15H10N4O4S MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(=C(N=C3C=CC(=O)C(=C3)[N+](=O)[O-])S)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N/C(=C(\N=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])/S)/N2

InChI

InChI=1S/C15H10N4O4S/c20-12-6-5-8(7-11(12)19(22)23)16-15(24)13-17-10-4-2-1-3-9(10)14(21)18-13/h1-7,17,24H,(H,18,21)/b15-13+,16-8+