(2E)-6-(2-imidazol-1-ylethoxy)-2-[(5-nitrothiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one

Systemtic Name: (2E)-6-(2-imidazol-1-ylethoxy)-2-[(5-nitrothiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one Openeye Name: (2E)-6-(2-imidazol-1-ylethoxy)-2-[(5-nitro-2-thienyl)methylene]tetralin-1-one CAS Name: (2E)-6-[2-(1-imidazolyl)ethoxy]-2-[(5-nitro-2-thiophenyl)methylidene]-3,4-dihydronaphthalen-1-one IUPAC Name: (2E)-6-(2-imidazol-1-ylethoxy)-2-[(5-nitrothiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one Traditional Name: (2E)-6-(2-imidazol-1-ylethoxy)-2-[(5-nitro-2-thienyl)methylene]tetralin-1-one Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3)OCCN4C=CN=C4

Isomeric SMILES

C1C/C(=C\C2=CC=C(S2)[N+](=O)[O-])/C(=O)C3=C1C=C(C=C3)OCCN4C=CN=C4

InChI

InChI=1S/C20H17N3O4S/c24-20-15(12-17-4-6-19(28-17)23(25)26)2-1-14-11-16(3-5-18(14)20)27-10-9-22-8-7-21-13-22/h3-8,11-13H,1-2,9-10H2/b15-12+