6-methyl-3-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione CAS Name: 6-methyl-3-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-quinone Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)O1

InChI

InChI=1S/C14H9N3O5S/c1-7-4-12(18)9(13(19)22-7)6-16-11-5-8(17(20)21)2-3-10(11)15-14(16)23/h2-6H,1H3,(H,15,23)