[(7E)-7-[(3-nitrophenyl)methylidene]-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] thiocyanate

Systemtic Name: [(7E)-7-[(3-nitrophenyl)methylidene]-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] thiocyanate Openeye Name: [(7E)-7-[(3-nitrophenyl)methylene]-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] thiocyanate CAS Name: thiocyanic acid [(7E)-7-[(3-nitrophenyl)methylidene]-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] ester IUPAC Name: [(7E)-7-[(3-nitrophenyl)methylidene]-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] thiocyanate Traditional Name: thiocyanic acid [(7E)-7-(3-nitrobenzylidene)-5,6-dihydrocyclopenta[d]pyrimidin-2-yl] ester Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=NC=C31)SC#N

Isomeric SMILES

C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC(=NC=C31)SC#N

InChI

InChI=1S/C15H10N4O2S/c16-9-22-15-17-8-12-5-4-11(14(12)18-15)6-10-2-1-3-13(7-10)19(20)21/h1-3,6-8H,4-5H2/b11-6+