1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea Openeye Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]urea CAS Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(5-nitro-2-furanyl)methylideneamino]urea IUPAC Name: 1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea Traditional Name: 1-[(E)-(5-nitro-2-furyl)methyleneamino]-3-piazthiol-4-yl-urea Formula: C12H8N6O4S MolecularWeight: 332.29472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O4S/c19-12(14-8-2-1-3-9-11(8)17-23-16-9)15-13-6-7-4-5-10(22-7)18(20)21/h1-6H,(H2,14,15,19)/b13-6+