N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-furan-2-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-2-furamide Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S2/c1-21-13-15-8-3-2-7(6-10(8)22-13)14-12(17)9-4-5-11(20-9)16(18)19/h2-6H,1H3,(H,14,17)