(2Z)-5-methoxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-1-oxidanylidene-thiochromen-4-one

Systemtic Name: (2Z)-5-methoxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-1-oxidanylidene-thiochromen-4-one Openeye Name: (2Z)-5-methoxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]-1-oxo-thiochromen-4-one CAS Name: (2Z)-5-methoxy-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-1-oxo-1-benzothiopyran-4-one IUPAC Name: (2Z)-5-methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-oxothiochromen-4-one Traditional Name: (2Z)-1-keto-5-methoxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]thiochromen-4-one Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=C2CC(=O)C3=C(C=CC=C3S2=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C=C\2/CC(=O)C3=C(C=CC=C3S2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-17-13(16-8-14(17)18(20)21)7-9-6-10(19)15-11(23-2)4-3-5-12(15)24(9)22/h3-5,7-8H,6H2,1-2H3/b9-7-