6-[(6Z)-6-[3-(1-adamantyl)-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione

Systemtic Name: 6-[(6Z)-6-[3-(1-adamantyl)-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione Openeye Name: 6-[(6Z)-6-[3-(1-adamantyl)-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione CAS Name: 6-[(6Z)-6-[3-(1-adamantyl)-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione IUPAC Name: 6-[(6Z)-6-[3-(1-adamantyl)-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione Traditional Name: 6-[(6Z)-6-[3-(1-adamantyl)-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene]-1H-pyridin-3-yl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-quinone Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C5C=CC(=CN5)C6C7C(=O)N6C(=O)S7)C=C(C4=O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C/C(=C/5\C=CC(=CN5)C6C7C(=O)N6C(=O)S7)/C=C(C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5S/c29-21-17(25-8-12-3-13(9-25)5-14(4-12)10-25)6-16(7-19(21)28(32)33)18-2-1-15(11-26-18)20-22-23(30)27(20)24(31)34-22/h1-2,6-7,11-14,20,22,26H,3-5,8-10H2/b18-16-