N-[(Z)-1-[5-(3,5-dinitrothiophen-2-yl)thiophen-2-yl]ethylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(Z)-1-[5-(3,5-dinitrothiophen-2-yl)thiophen-2-yl]ethylideneamino]adamantane-1-carboxamide Openeye Name: N-[(Z)-1-[5-(3,5-dinitro-2-thienyl)-2-thienyl]ethylideneamino]adamantane-1-carboxamide CAS Name: N-[(Z)-1-[5-(3,5-dinitro-2-thiophenyl)-2-thiophenyl]ethylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(Z)-1-[5-(3,5-dinitrothiophen-2-yl)thiophen-2-yl]ethylideneamino]adamantane-1-carboxamide Traditional Name: N-[(Z)-1-[5-(3,5-dinitro-2-thienyl)-2-thienyl]ethylideneamino]adamantane-1-carboxamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=C(S4)C5=C(C=C(S5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C12CC3CC(C1)CC(C3)C2)/C4=CC=C(S4)C5=C(C=C(S5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-11(22-23-20(26)21-8-12-4-13(9-21)6-14(5-12)10-21)16-2-3-17(31-16)19-15(24(27)28)7-18(32-19)25(29)30/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,23,26)/b22-11-